Sugi Predict

Sugi Predict / Compounds / SCHEMBL383741

SCHEMBL383741

SCHEMBL383741

CCCCC(CC)C/C(C(=O)[O-])=C(\CC(CC)CCCC)C(=O)[O-].c1ccc([Sn+2]c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HDAC3 O15379 4/20 0.40
▸ HDAC1 Q13547 4/20 0.40
▸ HDAC2 Q92769 4/20 0.40
▸ HDAC8 Q9BY41 4/20 0.40
▸ HDAC6 Q9UBN7 4/20 0.40
▸ HDAC4 P56524 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ HDAC5 Q9UQL6 3/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ MAPK1 P28482 2/20 0.39

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
SCHEMBL385428 0.84 ALDH1A1 (0.42) ALDH1A1CA2CYP3A4LMNAKDM4E
2-Ethylhexanoic Acid SCHEMBL151084 0.77 CA2 (0.62) ALDH1A1CA2CYP3A4LMNAHDAC3
SCHEMBL11878028 0.77 CA2 (0.40) ALDH1A1CA2CYP3A4LMNAKDM4E
SCHEMBL384043 0.77 CA2 (0.49) ALDH1A1CA2CYP3A4MAPK1TSHR
SCHEMBL384119 0.77 CA2 (0.49) ALDH1A1CA2CYP3A4MAPK1TSHR
SCHEMBL384589 0.77 CA2 (0.49) ALDH1A1CA2CYP3A4MAPK1TSHR
SCHEMBL384530 0.76 CES2 (0.51) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL384532 0.76 CES2 (0.51) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL384776 0.76 CA2 (0.47) ALDH1A1CA2CYP3A4MAPK1TSHR
SCHEMBL6685707 0.74 CA2 (0.46) ALDH1A1CA2CYP3A4LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098541-B1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORP (JP) 2013-06-05 — — EP disclosed
US-8101671-B2 Polyolefin resin foam and the process for producing the same JSR CORPORATION (JP) 2012-01-24 — — US disclosed
US-20100317794-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORPORATION (JP) 2010-12-16 — — US disclosed
EP-2098541-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR Corporation (JP) 2009-09-09 — — EP disclosed
US-20090209670-A1 POLYOLEFIN RESIN FOAM AND THE PROCESS FOR PRODUCING THE SAME JSR CORPORATION (JP) 2009-08-20 — — US disclosed
EP-2000500-A1 POLYOLEFIN RESIN FOAM AND PROCESS FOR PRODUCTION THEREOF JSR Corporation (JP) 2008-12-10 — — EP disclosed
EP-1026181-B1 Method of producing conjugated diene polymer JSR CORP (JP) 2004-11-24 — — EP disclosed
EP-0957115-B1 Method for producing conjugated diene polymers JSR CORP (JP) 2003-12-03 — — EP disclosed
US-6391990-B1 Method of producing conjugated diene polymer JSR CORPORATION (JP) 2002-05-21 — — US disclosed
US-6255416-B1 POLYMERIZING CONJUGATED DIENE COMPOUND WITH CATALYST CONSISTING ESSENTIALLY OF COMPOUND CONTAINING RARE EARTH ELEMENT, ALUMOXANE, ORGANOALUMINUM COMPOUND, REACTION PRODUCT OF METAL HALIDE AND LEWIS BASE JSR CORPORATION (JP) 2001-07-03 — — US disclosed
EP-1026181-A1 Method of producing conjugated diene polymer JSR Corporation (JP) 2000-08-09 — — EP disclosed
EP-0957115-A1 Method for producing conjugated diene polymers JSR Corporation (JP) 1999-11-17 — — EP disclosed