SCHEMBL9525522

SCHEMBL9525522

CCOc1cc(O)cc(C(C)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.57
KMT2A Q03164 3/20 0.50
CREBBP Q92793 2/20 0.50
MEN1 O00255 2/20 0.50
BRD4 O60885 1/20 0.50
BRD2 P25440 1/20 0.50
ALDH1A1 P00352 3/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PARP10 Q53GL7 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAOB P27338 2/20 0.41
SLC5A1 P13866 2/20 0.41
SLC5A2 P31639 2/20 0.41

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
SCHEMBL9701615 0.88 KMT2A (0.59) CA5AKMT2ACREBBPMEN1BRD4
SCHEMBL7595095 0.85 CA12 (0.54) KMT2ACREBBPMEN1BRD4BRD2
SCHEMBL7994043 0.84 HPGD (0.50) CA5AKMT2ACREBBPMEN1BRD4
SCHEMBL713400 0.82 CA12 (0.63) KMT2ACREBBPMEN1BRD4BRD2
SCHEMBL28494202 0.82 CA5A (0.53) CA5ACA12CA1CA2CA7
SCHEMBL7991107 0.82 CA5A (0.53) CA5ASMN1; SMN2TSHRMAOBMAPT
SCHEMBL5415007 0.82 CA12 (0.73) KMT2ACREBBPMEN1BRD4BRD2
SCHEMBL20239499 0.81 KMT2A (0.54) KMT2ACREBBPMEN1BRD4BRD2
SCHEMBL1190221 0.81 CREBBP (0.47) KMT2ACREBBPMEN1BRD4BRD2
SCHEMBL13703965 0.81 CA5A (0.52) CA5AALDH1A1CA12CA1CA2

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
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed