SCHEMBL5694337

SCHEMBL5694337

CCCCCC(O)c1ccc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.38
CNR2 P34972 1/20 0.34
ADRB2 P07550 4/20 0.33
GPR84 Q9NQS5 3/20 0.33
PPARG P37231 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL4722745 0.83 CSNK1E (0.36) CSNK1ECNR2GPR84ALDH1A1GAA
SCHEMBL21101056 0.83 NR1I2 (0.38) CSNK1EGPR84ALDH1A1GAA
SCHEMBL22819103 0.83 NR1I2 (0.38) CSNK1EGPR84ALDH1A1GAA
SCHEMBL25866564 0.83 NR1I2 (0.38) CSNK1EGPR84ALDH1A1GAA
SCHEMBL20098207 0.81 NR1I2 (0.37) CSNK1EGPR84ALDH1A1GAA
SCHEMBL20372779 0.81 NR1I2 (0.37) CSNK1EGPR84ALDH1A1GAA
SCHEMBL19198110 0.81 NR1I2 (0.37) CSNK1EGPR84ALDH1A1GAA
SCHEMBL10367905 0.81 CNR2 (0.38) CNR2GPR84ALDH1A1FFAR1
SCHEMBL9019669 0.80
SCHEMBL4178697 0.80 NR1I2 (0.40) CSNK1ECNR2GPR84GAA

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
EP-1413305-B1 ARYL (OR HETEROARYL) AZOLYLCARBYNOL DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ESTEVE LABOR DR (ES) 2006-05-31 EP claimed