SCHEMBL6946632

SCHEMBL6946632

[CH2]C[C@H](c1ccc(OC)c(OCCCOC)c1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
REN P00797 10/20 0.40
FDPS P14324 3/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
SMPD1 P17405 1/20 0.39
PRSS1 P07477 2/20 0.38
CTSB P07858 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
SCHEMBL6947321 0.84 PPARG (0.43) CYP1A2CYP2C9CYP2C19KMT2ANPSR1
SCHEMBL6938995 0.82 REN (0.44) CYP1A2CYP2C9CYP2C19KMT2ANPSR1
SCHEMBL2433356 0.75 FDPS (0.46) CYP1A2CYP2C9CYP2C19KMT2ANPSR1
SCHEMBL16511351 0.74 ACHE (0.54) CYP1A2CYP2C9CYP2C19KMT2ANPSR1
SCHEMBL14778095 0.72 REN (0.47) REN
SCHEMBL12524621 0.72 KDM1A (0.45) REN
SCHEMBL18596510 0.72 PPARG (0.54) CYP1A2CYP2C9CYP2C19KMT2ANPSR1
SCHEMBL14114916 0.71 ALOX15 (0.55) REN
SCHEMBL2738334 0.71 ALOX15 (0.55) REN
SCHEMBL14476482 0.71 REN (0.54) REN

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