SCHEMBL6685707

SCHEMBL6685707

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 2/20 0.36
ATM Q13315 1/20 0.36
CA1 P00915 2/20 0.35
LMNA P02545 1/20 0.34
GPR84 Q9NQS5 3/20 0.34
RECQL P46063 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
BCL2L1 Q07817 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
SCHEMBL383721 1.00 CA2 (0.46) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL6684466 1.00 CA2 (0.46) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL384043 0.94 CA2 (0.49) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL384589 0.84 CA2 (0.49) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL383033 0.82 CA2 (0.46) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL384119 0.81 CA2 (0.49) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL6518400 0.81 CA2 (0.43) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL384776 0.80 CA2 (0.47) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL9834581 0.78 CA2 (0.54) CA2ALDH1A1TSHRTDP1CYP3A4
SCHEMBL809702 0.77 CES2 (0.41) CA2ALDH1A1TSHRTDP1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1026181-B1 Method of producing conjugated diene polymer JSR CORP (JP) 2004-11-24 EP disclosed
US-6391990-B1 Method of producing conjugated diene polymer JSR CORPORATION (JP) 2002-05-21 US disclosed
EP-1026181-A1 Method of producing conjugated diene polymer JSR Corporation (JP) 2000-08-09 EP disclosed