SCHEMBL3775649

SCHEMBL3775649

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 4/20 0.36
HDAC3 O15379 5/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC8 Q9BY41 5/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC4 P56524 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC9 Q9UKV0 4/20 0.35
HDAC5 Q9UQL6 4/20 0.35
KDM4E B2RXH2 1/20 0.35
PPARG P37231 2/20 0.35
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL3769383 0.87 CA2 (0.43) CA2ALDH1A1CYP3A4LMNAHDAC3
SCHEMBL674807 0.83 CES2 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6682233 0.81 CA2 (0.51) CA2ALDH1A1CYP3A4TSHR
SCHEMBL3779276 0.81 CA2 (0.51) CA2ALDH1A1CYP3A4TSHR
SCHEMBL3764241 0.81 CA2 (0.51) CA2ALDH1A1CYP3A4TSHR
SCHEMBL3769934 0.81 CA2 (0.51) CA2ALDH1A1CYP3A4MAPK1TSHR
SCHEMBL3671250 0.79 CA2 (0.42) CA2ALDH1A1CYP3A4LMNAHDAC3
SCHEMBL18954912 0.79 CA2 (0.58) CA2CYP3A4TSHR
SCHEMBL3764830 0.79 CA2 (0.49) CA2CYP3A4TSHR
SCHEMBL3771040 0.79 CA2 (0.49) CA2ALDH1A1CYP3A4TSHR

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 9 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-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
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