SCHEMBL7761815

SCHEMBL7761815

O=C(O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.55
CTSV O60911 4/20 0.54
CTSL P07711 4/20 0.54
PTGER1 P34995 4/20 0.52
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ABCB1 P08183 1/20 0.46
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL7170588 0.83 CTSV (0.65) MCL1CTSVCTSLPTGER1POLB
SCHEMBL3296196 0.81 CTSV (0.54) MCL1CTSVCTSLTDP1POLB
SCHEMBL1647948 0.80 CYP19A1 (0.64) MCL1CTSVCTSLALDH1A1MEN1
SCHEMBL1316077 0.79 MCL1 (0.71) MCL1PTGER1POLBL3MBTL1ALDH1A1
SCHEMBL17177743 0.79 MCL1 (0.76) MCL1PTGER1POLBL3MBTL1ALDH1A1
SCHEMBL2534789 0.79 PTGER4 (0.57) MCL1CTSVCTSLPTGER1TDP1
SCHEMBL3298565 0.79 CTSV (0.54) MCL1CTSVCTSLPOLBALDH1A1
SCHEMBL2534792 0.79 PTGER4 (0.57) MCL1CTSVCTSLPTGER1TDP1
SCHEMBL2531020 0.79 ERN1 (0.47) CTSVCTSLTDP1POLBALDH1A1
SCHEMBL8316504 0.78 CTSV (0.61) MCL1CTSVCTSLTDP1POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105416-A1 NOVEL PROCESS FOR THE 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-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 WO claimed
EP-1105416-A1 NOVEL PROCESS FOR THE 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-2000009547-A1 NOVEL PROCESS FOR THE SYNTHESIS OF EXOCHELINS KEYSTONE BIOMEDICAL, INC. (US) 2000-02-24 WO disclosed