SCHEMBL7849772

SCHEMBL7849772

NC(=O)c1ccccc1C(=O)c1ccc(O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.66
MAPT P10636 4/20 0.54
HPGD P15428 2/20 0.54
LMNA P02545 2/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RAB9A P51151 1/20 0.52
AKR1C3 P42330 3/20 0.50
CDC25B P30305 2/20 0.48
ATM Q13315 1/20 0.48
GAA P10253 2/20 0.47
NR4A1 P22736 1/20 0.47

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
SCHEMBL9614636 0.89 LIG1 (0.79) LIG1MAPTHPGDLMNAESR1
SCHEMBL1466509 0.85 AKR1C3 (0.68) MAPTHPGDLMNAHSD17B10KDM4E
SCHEMBL11225742 0.85 LIG1 (0.73) LIG1MAPTHPGDLMNAESR1
SCHEMBL4639275 0.82 AKR1C3 (0.70) MAPTHPGDLMNAHTTKDM4E
SCHEMBL7850555 0.82 AKR1C3 (0.48) LIG1MAPTHPGDHSD17B10KDM4E
SCHEMBL7849291 0.82 AKR1C3 (0.70) MAPTHPGDLMNAHTTHSD17B10
SCHEMBL2175941 0.82 NR4A1 (0.70) MAPTHPGDKDM4EALDH1A1MEN1
SCHEMBL4929944 0.82 AGTR1 (0.54) MAPTHPGDPKMHTTHSD17B10
SCHEMBL63564 0.82 AKR1C3 (0.76) LIG1MAPTHPGDLMNAESR1
SCHEMBL29360039 0.82 AKR1C3 (0.76) LIG1MAPTHPGDLMNAESR1

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
US-6328793-B1 FOR USE IN INK JET PRINTING PROCESSES, INCLUDING PIEZOELECTRIC INK JET PRINTING, ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-12-11 US claimed
US-6328793-B1 FOR USE IN INK JET PRINTING PROCESSES, INCLUDING PIEZOELECTRIC INK JET PRINTING, ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-12-11 US disclosed