SCHEMBL11353112

SCHEMBL11353112

CCOc1ccc(C(CBr)c2ccc(OCC)cc2C)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CARM1 Q86X55 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 2/20 0.38

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
SCHEMBL11356828 0.84 HTT (0.41) KDM4ECYP1A2
SCHEMBL11361134 0.82 NQO1 (0.45) NQO1KDM4EALDH1A1HPGDTSHR
SCHEMBL11361704 0.82 NQO1 (0.45) NQO1KDM4EALDH1A1HPGDTSHR
SCHEMBL11353201 0.81 NQO1 (0.43) NQO1KDM4EALDH1A1HPGDTSHR
SCHEMBL11356998 0.81 NQO1 (0.43) NQO1KDM4EALDH1A1HPGDTSHR
SCHEMBL9945969 0.79 KDM4E (0.58) NQO1KDM4ECARM1SMN1; SMN2MEN1
SCHEMBL11349231 0.78 NQO1 (0.38) NQO1KDM4EALDH1A1HPGDTSHR
SCHEMBL13877339 0.76 CARM1 (0.48) NQO1KDM4EALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL3638527 0.75 CARM1 (0.47) NQO1KDM4EALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL4235610 0.75 CARM1 (0.47) NQO1KDM4EALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0001910-B1 PREPARATION OF 4,4'-DIHYDROXY STILBENES OR DERIVATIVES THEREOF MONSANTO COMPANY (US) 1981-09-02 — — EP disclosed
US-4189610-A Preparation of 4,4-dioxy-substituted stilbenes MONSANTO COMPANY (US) 1980-02-19 — — US disclosed
EP-0001910-A1 Preparation of 4,4'-dihydroxy stilbenes or derivatives thereof MONSANTO COMPANY (US) 1979-05-16 — — EP disclosed
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