SCHEMBL9525778

SCHEMBL9525778

CCOc1cc(OCC)c(Br)c(C(C)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
TSHR P16473 2/20 0.54
CYP3A4 P08684 1/20 0.54
HSD17B10 Q99714 1/20 0.46
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CREBBP Q92793 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NCOA1 Q15788 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
SCHEMBL19873254 0.87 TSHR (0.58) KDM4ETSHRCYP3A4HSD17B10LMNA
SCHEMBL28060602 0.84 KDM4E (0.49) KDM4ETSHRCYP3A4HSD17B10MAPT
SCHEMBL10498214 0.81 TSHR (0.56) KDM4ETSHRCYP3A4HSD17B10MAPT
SCHEMBL2281556 0.77 KDM4E (0.75) KDM4ETSHRCYP3A4MAPTLMNA
SCHEMBL21243801 0.76 MAOB (0.58) MAPTL3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL10497899 0.76 CYP3A4 (0.68) KDM4ETSHRCYP3A4MAPTLMNA
SCHEMBL10111303 0.75 CREBBP (0.53) KDM4ETSHRCYP3A4HSD17B10LMNA
SCHEMBL3988817 0.75 KDM4E (0.57) KDM4ETSHRCYP3A4HSD17B10MAPT
SCHEMBL2479864 0.75 TSHR (0.51) KDM4ETSHRCYP3A4HSD17B10MAPT
SCHEMBL7833873 0.74 CYP3A4 (0.51) KDM4ECYP3A4MAPTLMNASMN1; SMN2

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