SCHEMBL9525677

SCHEMBL9525677

CCCc1cc(C(C)=O)cc(Br)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
TPMT P51580 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
APOBEC3A P31941 1/20 0.43
HTT P42858 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL7670073 0.76 TPMT (0.65) NCOA1NCOA3TPMTSMN1; SMN2TSHR
SCHEMBL1134614 0.75 TSHR (0.72) NCOA1NCOA3TPMTSMN1; SMN2MAPT
SCHEMBL10601596 0.73 PPARG (0.63) ALDH1A1PPARGPPARAMEN1KMT2A
SCHEMBL31063218 0.73 TPMT (0.49) NCOA1NCOA3TPMTMAPTRAB9A
SCHEMBL6343700 0.71 ALDH1A1 (0.65) MAPTL3MBTL1HTTALDH1A1MEN1
SCHEMBL24488953 0.71 CREBBP (0.44) NCOA1NCOA3SMN1; SMN2L3MBTL1TSHR
SCHEMBL3546860 0.70 TPMT (0.58) TPMTL3MBTL1TSHRHTTALDH1A1
SCHEMBL13807390 0.70 NOTUM (0.49) NCOA1NCOA3TPMTSMN1; SMN2MAPT
Butane SCHEMBL3738130 0.69 LMNA (0.60) TPMTMAPTALDH1A1LMNAMEN1
SCHEMBL26810030 0.69 TPMT (0.51) NCOA1NCOA3TPMTSMN1; SMN2MAPT

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