SCHEMBL8467959

SCHEMBL8467959

Cc1c(C(=O)O)c(COS(C)(=O)=O)c(-c2ccc(F)cc2)c2c3c(ccc12)OCO3

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.34
AR P10275 4/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
EDNRB P24530 2/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
METAP2 P50579 1/20 0.31
XBP1 P17861 1/20 0.30
ANO1 Q5XXA6 1/20 0.30

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
SCHEMBL8080528 0.91 PTGS2 (0.41) PTGS2PTGDR2ARHSP90AA1HSP90AB1
SCHEMBL8081363 0.82 PTGS2 (0.44) PTGS2HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL8080596 0.76 PTGS2 (0.42) PTGS2HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL8072765 0.75 PTGS2 (0.45) PTGS2HSP90AA1HSP90AB1ALDH1A1HPGD
SCHEMBL8081438 0.74 PTGS2 (0.36) PTGS2KDM4EALDH1A1HPGDMEN1
SCHEMBL8072887 0.74 PTGS2 (0.43) PTGS2HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL8081344 0.74 PTGS2 (0.42) PTGS2KDM4EALDH1A1HPGDEDNRB
SCHEMBL8081905 0.71 ALOX5 (0.45) KDM4EALDH1A1HPGDEDNRBPKM
SCHEMBL8086666 0.68 PTGS2 (0.44) PTGS2HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL8072434 0.67 TARBP2 (0.38) PTGS2KDM4EALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920416-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-06-09 EP disclosed
WO-1998007705-A1 NAPHTHOLACTAMS AND LACTONES AS BONE MORPHOGENETIC PROTEIN ACTIVE AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-26 WO disclosed