SCHEMBL9550356

SCHEMBL9550356

O=C(O)c1cccc(-c2ccc(-c3ccc(-c4cccc(C(=O)O)c4C(=O)O)cc3)cc2)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 3/20 0.55
CDC25B P30305 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 2/20 0.48
FOLH1 Q04609 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
FABP5 Q01469 1/20 0.46
MYC P01106 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
BCAT2 O15382 1/20 0.44
ACMSD Q8TDX5 3/20 0.43
PTPN1 P18031 1/20 0.43
AKR1C3 P42330 1/20 0.42
LIG1 P18858 1/20 0.42
CA12 O43570 1/20 0.41

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 0.98 HNF4A (0.57) HNF4ACDC25BATMHSD17B10FOLH1
SCHEMBL9019636 0.96 HNF4A (0.61) HNF4ACDC25BATMHSD17B10FOLH1
SCHEMBL1353530 0.96 HNF4A (0.61) HNF4ACDC25BATMHSD17B10FOLH1
SCHEMBL29669745 0.96 HNF4A (0.61) HNF4ACDC25BATMHSD17B10FOLH1
SCHEMBL28567708 0.94 HNF4A (0.62) HNF4ACDC25BATMHSD17B10FOLH1
Biphenyl SCHEMBL6227288 0.92 HNF4A (0.61) HNF4ACDC25BATMHSD17B10FOLH1
SCHEMBL29376910 0.92 HNF4A (0.66) HNF4ACDC25BATMHSD17B10FOLH1
SCHEMBL36146 0.92 HNF4A (0.66) HNF4ACDC25BATMHSD17B10FOLH1
SCHEMBL3806295 0.90 FOLH1 (0.58) HNF4ACDC25BATMHSD17B10FOLH1
SCHEMBL2788720 0.90 HSD17B10 (0.55) HNF4ACDC25BATMHSD17B10FOLH1

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