SCHEMBL8368463

SCHEMBL8368463

NCc1c(C(=O)O)cccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.58
BCAT2 O15382 1/20 0.52
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
MYC P01106 1/20 0.47
DPP4 P27487 1/20 0.46
ALDH1A1 P00352 4/20 0.45
FOLH1 Q04609 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
CDC25B P30305 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL27787423 0.88 BCAT2 (0.65) HNF4ABCAT2DPP4ALDH1A1FOLH1
SCHEMBL3843396 0.85 HNF4A (0.61) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL27669069 0.82 HMGB1 (0.55) MYCALDH1A1KDM4EALOX15MAPT
SCHEMBL27950068 0.82 CHRNB2 (0.48) HNF4ABCAT2ALDH1A1KDM4EL3MBTL1
SCHEMBL8415183 0.82 HNF4A (0.58) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL10984209 0.82 HNF4A (0.58) HNF4ABCAT2FABP3FABP4FABP5
SCHEMBL27670029 0.80 DPP4 (0.60) DPP4ALDH1A1HSD17B10
SCHEMBL3629995 0.79 LTB4R2 (0.57) HNF4ABCAT2MYCFOLH1
SCHEMBL7407371 0.78 HNF4A (0.73) HNF4ABCAT2FABP3FABP4FABP5
Hydrogen Sulfide SCHEMBL27639876 0.78 DPP4 (0.58) DPP4ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794789-A4 INHIBITORS OF PRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-05-26 EP claimed
EP-0794789-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-09-17 EP claimed
WO-1996021456-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1996-07-18 WO claimed
CN-102203067-B Hedgehog pathway modulators IRM LLC 2014-01-15 CN disclosed