SCHEMBL11353201

SCHEMBL11353201

CCOc1ccc(C(CBr)c2ccc(OCC)cc2Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.43
▸ FFAR1 O14842 2/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HSD17B10 Q99714 2/20 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
SCHEMBL11385852 0.84 SLC6A4 (0.42) KDM4ETDP1
SCHEMBL11357974 0.84 NQO1 (0.45) NQO1FFAR1KDM4EKMT2ALTA4H
SCHEMBL8135179 0.83 FFAR1 (0.41) NQO1FFAR1KDM4EKMT2ALTA4H
SCHEMBL11356278 0.83 NQO1 (0.43) NQO1FFAR1KDM4EKMT2ALTA4H
SCHEMBL11353112 0.81 NQO1 (0.45) NQO1KDM4EKMT2ALTA4HAKR1C3
SCHEMBL21725535 0.80 NQO1 (0.48) NQO1FFAR1KDM4EKMT2AAKR1C3
SCHEMBL11356998 0.79 NQO1 (0.43) NQO1KDM4EKMT2ALTA4HAKR1C3
SCHEMBL23022221 0.77 LMNA (0.56) NQO1FFAR1KDM4EKMT2AAKR1C3
SCHEMBL1548013 0.75 KDM4E (0.58) NQO1FFAR1KDM4EKMT2AFFAR4
SCHEMBL1391304 0.75 NQO1 (0.46) NQO1FFAR1KDM4EKMT2AFFAR4

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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