SCHEMBL6947321

SCHEMBL6947321

COCCCOc1cc([C@H](CCO)C(C)C)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
REN P00797 8/20 0.41
FDPS P14324 3/20 0.41
TUBB1 Q9H4B7 2/20 0.40
TNF P01375 1/20 0.40
PRSS1 P07477 2/20 0.39
SMPD1 P17405 1/20 0.39

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
SCHEMBL6943581 0.85 REN (0.47) KMT2ARENPRSS1SMPD1
SCHEMBL6946632 0.84 CYP1A2 (0.42) PPARGPPARDPPARACYP1A2CYP2C9
SCHEMBL6938995 0.82 REN (0.44) CYP1A2CYP2C9CYP2C19KMT2ANPSR1
SCHEMBL3914370 0.77 REN (0.40) RENTUBB1PRSS1SMPD1
SCHEMBL3914376 0.77 REN (0.40) RENTUBB1PRSS1SMPD1
SCHEMBL2426917 0.76 REN (0.52) REN
SCHEMBL2433356 0.76 FDPS (0.46) PPARGPPARDPPARACYP1A2CYP2C9
SCHEMBL5076405 0.75 STAT3 (0.48) REN
SCHEMBL16511351 0.74 ACHE (0.54) PPARGPPARDPPARACYP1A2CYP2C9
SCHEMBL29521379 0.74 REN (0.48) L3MBTL1RENTUBB1PRSS1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed