SCHEMBL7695955

SCHEMBL7695955

O=C(N[C@@H](CO)C(=O)O)c1ccccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 6/20 0.60
▸ KIFC1 Q9BW19 1/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ ICMT O60725 1/20 0.58
▸ GAA P10253 1/20 0.56
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ FAAH O00519 1/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ PDE5A O76074 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ CAPN1 P07384 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27560784 1.00 SGMS2 (0.60) SGMS2KIFC1NPC1ICMTGAA
SCHEMBL10839367 0.90 KIFC1 (0.52) SGMS2KIFC1NPC1ICMTGAA
SCHEMBL10839375 0.90 KIFC1 (0.52) SGMS2KIFC1NPC1ICMTGAA
SCHEMBL7723439 0.90 SGMS2 (0.58) SGMS2KIFC1NPC1ICMTGAA
SCHEMBL15947721 0.88 SGMS2 (0.56) SGMS2KIFC1NPC1ICMTGAA
SCHEMBL7725875 0.85 SGMS2 (0.56) SGMS2KIFC1NPC1ICMTGAA
SCHEMBL12984380 0.85 ALDH1A1 (0.59) ICMTGAAMEN1KMT2AMAPT
SCHEMBL12983747 0.83 MEN1 (0.55) ICMTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2794042 0.82 HPGD (0.61) NPC1KMT2ALMNAMAPTL3MBTL1
SCHEMBL12984069 0.82 HPGD (0.61) NPC1KMT2ALMNAMAPTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6335443-B1 Chemical synthesis of exochelins KEYSTONE BIOMEDICAL, INC. 2002-01-01 — — US claimed
CN-1315962-A Novel method for synthesizing Exochelins KEYSTONE BIOMEDICAL INC (US) 2001-10-03 — — CN claimed
CN-1312818-A Chemical Synthesis of Exochel ins KEYSTONE BIOMEDICAL INC (US) 2001-09-12 — — CN claimed
EP-1105416-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 — — EP claimed
EP-1105415-A1 CHEMICAL SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 — — EP claimed
US-6063919-A ESTERIFICATION OF O-DEPROTECTED DIBENZYL EXOCHELIC ACID WITH BENZYL EPI-COBACTIN, HYDROGENOLYTICALLY REMOVING THE THREE BENZYL GROUPS TO FORM EXOCHELIN 786SM(R) KEYSTONE BIOMEDICAL, INC. (US) 2000-05-16 — — US claimed
WO-2000009548-A1 CHEMICAL SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 — — WO claimed
WO-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 — — WO claimed
US-5952492-A REACTING A MIXTURE OF DIACID WITH DIMETHYL PIMELATE, HYDROCHLORIC ACID, METHANOL, DIBUTYL ETHER TO FORM INTERMEDIATE, ADDING O-BENZYL HYDROXYLAMINE HYDROCHLORIDE AND TRIETHYLAMINE, ADDITING DI-TERT-BUTYL DICARBONATE KEYSTONE BIOMEDICAL, INC. (US) 1999-09-14 — — US claimed
WO-2014122664-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-08-14 — — WO disclosed
CN-1315962-A Novel method for synthesizing Exochelins KEYSTONE BIOMEDICAL INC (US) 2001-10-03 — — CN disclosed
CN-1312818-A Chemical Synthesis of Exochel ins KEYSTONE BIOMEDICAL INC (US) 2001-09-12 — — CN disclosed
EP-1105416-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 — — EP disclosed
EP-1105416-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 — — EP disclosed
EP-1105415-A1 CHEMICAL SYNTHESIS OF EXOCHELINS Keystone Biomedical, Inc. (US) 2001-06-13 — — EP disclosed
US-6063919-A ESTERIFICATION OF O-DEPROTECTED DIBENZYL EXOCHELIC ACID WITH BENZYL EPI-COBACTIN, HYDROGENOLYTICALLY REMOVING THE THREE BENZYL GROUPS TO FORM EXOCHELIN 786SM(R) KEYSTONE BIOMEDICAL, INC. (US) 2000-05-16 — — US disclosed
WO-2000009548-A1 CHEMICAL SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 — — WO disclosed
WO-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 — — WO disclosed
WO-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 — — WO disclosed
US-5952492-A REACTING A MIXTURE OF DIACID WITH DIMETHYL PIMELATE, HYDROCHLORIC ACID, METHANOL, DIBUTYL ETHER TO FORM INTERMEDIATE, ADDING O-BENZYL HYDROXYLAMINE HYDROCHLORIDE AND TRIETHYLAMINE, ADDITING DI-TERT-BUTYL DICARBONATE KEYSTONE BIOMEDICAL, INC. (US) 1999-09-14 — — US disclosed
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