SCHEMBL7955910

SCHEMBL7955910

COc1cc(Cl)c2cc(C(=O)O)n3c2c1C(=O)CCCC3

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.38
CCR2 P41597 2/20 0.35
MCL1 Q07820 1/20 0.35
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
STAT6 P42226 1/20 0.33
MEN1 O00255 1/20 0.33
PPARG P37231 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
BRD4 O60885 2/20 0.33
BRD9 Q9H8M2 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL7958083 0.86 PDE3B (0.39) GAAKMT2AALDH1A1MAPTMEN1
SCHEMBL8928693 0.84 BRD4 (0.33) RORCGAAALDH1A1TP53MAPT
SCHEMBL8928699 0.82 BRD4 (0.33) GAAKMT2AALDH1A1TP53MAPT
SCHEMBL7954261 0.81 BRD4 (0.36) KMT2AALDH1A1TP53MAPTKDM4E
SCHEMBL7954264 0.80 BRD4 (0.35) GAAKMT2AALDH1A1TP53MAPT
SCHEMBL7946966 0.72 BRD4 (0.31) BRD4BRD9
SCHEMBL7958065 0.65 ALDH1A1 (0.44) GAAKMT2AALDH1A1TP53MAPT
SCHEMBL6801919 0.63 ALDH1A1 (0.42) GAAKMT2AALDH1A1MAPTMEN1
SCHEMBL29406091 0.61 SLC9A1 (0.42) KMT2AALDH1A1TP53MEN1RAB9A
SCHEMBL7946984 0.61 PDE3B (0.45) MCL1GAAKMT2AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271251-B1 CARDIOVASCULAR DISORDERS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2001-08-07 US disclosed