SCHEMBL11209443

SCHEMBL11209443

COc1cc(C(C)O)cc2c1C(C)(C)CC2(C)C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.31
FTO Q9C0B1 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
SLC22A3 O75751 1/20 0.30
BCHE P06276 1/20 0.30
TYR P14679 1/20 0.30
ACHE P22303 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
SCHEMBL11249363 0.86
SCHEMBL11209387 0.73 FTO (0.31) FTO
SCHEMBL11213073 0.72 LMNA (0.50) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL11215262 0.69 RXRA (0.46) KMT2AMEN1CYP3A4TSHR
SCHEMBL15241086 0.68 PKM (0.47) ALOX5MAPTKMT2ACYP1A2CYP2C9
SCHEMBL8115552 0.68 MAPT (0.56) MAPTL3MBTL1CYP3A4ACHE
SCHEMBL1613430 0.66 MGAM (0.41) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL15417892 0.66 CNR2 (0.40) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL3812903 0.66 MAPT (0.39) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL4469324 0.66 CYP3A4 (0.42) ALOX5MAPTFTOKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326055-A ANTITUMOR AGENTS, SKIN DISORDERS, RHEUMATIC DISEASES HOFFMANN-LA ROCHE INC. (US) 1982-04-20 US disclosed
EP-0002742-B1 STILBENE DERIVATIVES, THEIR PREPARATION AND MEDICINES CONTAINING THESE STILBENE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-04-14 EP disclosed
US-4193931-A 7-(INDANYL OR NAPHTHYL)-3-METHYL-OCTA-2,4,6-TRIENE DERIVATIVES, ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1980-03-18 US disclosed
EP-0002742-A1 Stilbene derivatives, their preparation and medicines containing these stilbene derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-07-11 EP disclosed