SCHEMBL8322156

SCHEMBL8322156

CSc1ccc(C=O)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.52
TRIM24 O15164 2/20 0.52
TRIM33 Q9UPN9 2/20 0.52
MCL1 Q07820 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
ERN1 O75460 6/20 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
SCHEMBL2641952 0.84 ERN1 (0.52) TRIM24TRIM33MCL1ALDH1A1ERN1
SCHEMBL17075433 0.79 TYR (0.47) TYRTRIM24TRIM33ALDH1A1PIK3CD
SCHEMBL2800253 0.78 ALDH1A1 (0.48) TYRTRIM24TRIM33MCL1ALDH1A1
SCHEMBL3143864 0.78 ALDH1A1 (0.48) TYRMCL1ALDH1A1ERN1
SCHEMBL23754494 0.76 ALDH1A1 (0.47) MCL1ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL5776519 0.76 ALDH1A1 (0.47) TRIM24TRIM33MCL1ALDH1A1PRKDC
SCHEMBL31423173 0.76 ALDH1A1 (0.47) TYRTRIM24TRIM33MCL1ALDH1A1
SCHEMBL3148643 0.76 TDP1 (0.55) TYRTRIM24TRIM33MCL1ALDH1A1
SCHEMBL18583391 0.75 ALDH1A1 (0.56) TYRTRIM24TRIM33ALDH1A1PIK3CD
SCHEMBL17075432 0.74 TYR (0.50) TYRTRIM24TRIM33ALDH1A1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed