SCHEMBL9550396

SCHEMBL9550396

O=C(O)c1cccc(-c2ccc(Cc3ccc(-c4cccc(C(=O)O)c4C(=O)O)cc3)cc2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.48
HNF4A P41235 2/20 0.47
PTPN1 P18031 2/20 0.46
LTB4R2 Q9NPC1 4/20 0.46
ACMSD Q8TDX5 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN6 P29350 1/20 0.45
BRS3 P32247 1/20 0.45
TSHR P16473 1/20 0.44
CDC25B P30305 1/20 0.43
ATM Q13315 1/20 0.43
PLA2G2A P14555 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL1362671 0.89 HNF4A (0.57) FOLH1HNF4ALTB4R2TSHRCDC25B
Diphenylmethane SCHEMBL22720596 0.87 FOLH1 (0.54) FOLH1HNF4APTPN1ACMSDPTPN2
SCHEMBL9550356 0.87 HNF4A (0.55) FOLH1HNF4APTPN1ACMSDCDC25B
SCHEMBL28567708 0.85 HNF4A (0.62) FOLH1HNF4APTPN1TSHRCDC25B
SCHEMBL7722704 0.84 MCL1 (0.52) LTB4R2BRS3
SCHEMBL29669745 0.84 HNF4A (0.61) FOLH1HNF4APTPN1ACMSDCDC25B
SCHEMBL9019636 0.84 HNF4A (0.61) FOLH1HNF4APTPN1ACMSDCDC25B
SCHEMBL1353530 0.84 HNF4A (0.61) FOLH1HNF4APTPN1ACMSDCDC25B
SCHEMBL29376910 0.83 HNF4A (0.66) FOLH1HNF4APTPN1TSHRCDC25B
SCHEMBL36146 0.83 HNF4A (0.66) FOLH1HNF4APTPN1TSHRCDC25B

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-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed