SCHEMBL6849682

SCHEMBL6849682

Nc1ccc(C2=CC=CC(O)(C(=O)O)C2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL9006818 0.85 THRB (0.35) TDP1ALDH1A1
SCHEMBL6846751 0.80 MAPK1 (0.40) TDP1ALDH1A1TP53
SCHEMBL4002907 0.76 LMNA (0.33) CYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL1843328 0.74 MAPT (0.33) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL28438546 0.72 PARP10 (0.39) CYP3A4TDP1HSD17B10ALDH1A1TP53
SCHEMBL8101256 0.71 TDP1 (0.32) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL11043882 0.70 TDP1 (0.31) CYP3A4TDP1TAAR1HSD17B10ALDH1A1
SCHEMBL29032762 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8858302 0.69
SCHEMBL29007685 0.68 HDAC4 (0.32) TDP1ALDH1A1

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
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP claimed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP claimed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO claimed