SCHEMBL11350488

SCHEMBL11350488

CCc1cc(C(CI)c2cc(CC)c(O)c(C)c2C)c(C)c(C)c1O

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MAOA P21397 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL11351448 0.82 GABRA1 (0.32) GABRA1GABRB2ALOX15ALOX12MAOA
SCHEMBL11358483 0.82 GABRA1 (0.32) GABRA1GABRB2ALOX15ALOX12MAOA
SCHEMBL11353424 0.79 MEN1 (0.35) GAA
SCHEMBL11354328 0.76 TSHR (0.33) KDM4EALDH1A1
SCHEMBL11355387 0.75 ESR1 (0.33) —
SCHEMBL11353393 0.74 ALOX15 (0.41) ALOX15ALOX12KDM4EALDH1A1GAA
SCHEMBL11345628 0.73 GABRA1 (0.41) GABRA1GABRB2ALOX15ALOX12ALDH1A1
SCHEMBL31092530 0.72 GABRA1 (0.42) GABRA1GABRB2ALOX15ALOX12MAOA
SCHEMBL19927818 0.72 GABRA1 (0.42) GABRA1GABRB2ALOX15ALOX12MAOA
SCHEMBL15277341 0.70 GABRA1 (0.34) GABRA1GABRB2ALOX15ALOX12ALDH1A1

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 5 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
US-4156787-A HYDROGENATION CATALYST MONSANTO COMPANY (US) 1979-05-29 — — US disclosed
EP-0001910-A1 Preparation of 4,4'-dihydroxy stilbenes or derivatives thereof MONSANTO COMPANY (US) 1979-05-16 — — EP disclosed
EP-0001909-A1 Preparation of 1,2-bis(4-hydroxyaryl)ethanes by one-step dehydrohalogenation-rearrangement-hydrogenation of 1,1-bis(4-hydroxyaryl)-2-haloethanes, which may be followed by acylation MONSANTO COMPANY (US) 1979-05-16 — — EP disclosed
Send feedback