SCHEMBL11350205

SCHEMBL11350205

COc1ccc(C(CCl)c2ccc(OC)c(C)c2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.48
▸ SLC6A4 P31645 2/20 0.48
▸ SLC6A3 Q01959 2/20 0.48
▸ FFAR1 O14842 1/20 0.42
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TAS1R3 Q7RTX0 4/20 0.39
▸ TAS1R1 Q7RTX1 4/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ ACHE P22303 2/20 0.36
▸ BCHE P06276 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL21165788 0.83 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3FFAR1CYP3A4
SCHEMBL11357003 0.82 TAS1R3 (0.42) FFAR1TAS1R3TAS1R1SMN1; SMN2MAPT
SCHEMBL11347913 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3FFAR1CYP3A4
SCHEMBL11348524 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3FFAR1CYP3A4
SCHEMBL31135381 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3FFAR1CYP3A4
SCHEMBL20969576 0.76 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3ACHE
SCHEMBL801219 0.76 HDAC4 (0.48) SLC6A2SLC6A4SLC6A3AKR1C3AKR1C2
SCHEMBL13304652 0.76 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3FFAR1CYP3A4
SCHEMBL25620264 0.76 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3FFAR1CYP3A4
SCHEMBL25620269 0.75 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3FFAR1TAS1R3

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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