SCHEMBL7903229

SCHEMBL7903229

CCOc1cccc(C(O)c2ccccc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.43
CREBBP Q92793 3/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CASP1 P29466 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
FFAR1 O14842 2/20 0.41
ALOX5 P09917 1/20 0.40
CASR P41180 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL19867567 0.83 LMNA (0.50) CASP1SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL7903235 0.83 BRD4 (0.52) BRD4CREBBPTP53CYP3A4ALDH1A1
SCHEMBL11605502 0.77 TP53 (0.53) TP53CYP3A4ALDH1A1L3MBTL1LMNA
SCHEMBL6222759 0.77 TP53 (0.53) TP53CYP3A4ALDH1A1L3MBTL1LMNA
SCHEMBL11605997 0.76 ALDH1A1 (0.53) BRD4CREBBPTP53CYP3A4ALDH1A1
SCHEMBL23428912 0.76 ACP3 (0.42) CYP3A4ALDH1A1CASP1SLC6A2SLC6A4
SCHEMBL6055352 0.76 TP53 (0.52) BRD4CREBBPTP53CYP3A4ALDH1A1
SCHEMBL6055217 0.74 ALDH1A1 (0.51) TP53CYP3A4ALDH1A1L3MBTL1LMNA
SCHEMBL7330851 0.74 TP53 (0.50) BRD4CREBBPTP53CYP3A4ALDH1A1
SCHEMBL6055172 0.74 LMNA (0.52) TP53CYP3A4ALDH1A1ALOX5L3MBTL1

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-6291485-B1 TREATMENT OF POST-PTCA RESTENOSIS TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-09-18 US disclosed
EP-1002797-A1 4,5-DIHYDRO- 1H]-BENZ g]INDAZOLE-3-CARBOXYLIC ACID DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2000-05-24 EP disclosed