SCHEMBL9863407

SCHEMBL9863407

CCCCCCCCCCCCCCCCCCOCC(COS(=O)(=O)c1ccc(C)cc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.44
TLR2 O60603 6/20 0.40
PLA2G10 O15496 2/20 0.39
PLA2G2A P14555 2/20 0.39
CNR2 P34972 1/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G5 P39877 1/20 0.38
CTRC Q99895 1/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL25967516 1.00 PLA2G2C (0.44) PLA2G2CTLR2PLA2G10PLA2G2ACNR2
SCHEMBL25909320 0.88 CNR2 (0.36) PLA2G2CTLR2PLA2G10PLA2G2ACNR2
SCHEMBL11095547 0.87 PLA2G2C (0.50) PLA2G2CTLR2PLA2G10PLA2G2APLA2G1B
SCHEMBL11096065 0.87 PLA2G2C (0.50) PLA2G2CTLR2PLA2G10PLA2G2APLA2G1B
SCHEMBL11042332 0.87 PLA2G2C (0.50) PLA2G2CTLR2PLA2G10PLA2G2APLA2G1B
SCHEMBL1396102 0.87 LMNA (0.45) CNR2ALDH1A1LMNASMN1; SMN2
SCHEMBL4570527 0.87 LPAR1 (0.43) PLA2G2CTLR2
SCHEMBL19067483 0.86 LMNA (0.39) CNR2ALDH1A1GAAPKMLMNA
SCHEMBL9863436 0.85 TLR2 (0.44) PLA2G2CTLR2ALDH1A1LMNASMN1; SMN2
SCHEMBL10553671 0.84 PLA2G10 (0.42) TLR2PLA2G10PLA2G2APLA2G1BPLA2G5

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
US-5025005-A Preventive or therapeutic agents for circulatory diseases, allergic disorders; antineoplastic agent; inhibitor for platelet activating factor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-18 US disclosed
US-4737518-A ANTIALLERGENS, ANTINEOPLASTICS, ANTICOAGULANTS, CIRCULATORY DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-12 US disclosed
EP-0157609-A2 Lipid derivatives their production and use Takeda Chemical Industries, Ltd. (JP) 1985-10-09 EP disclosed