SCHEMBL3670313

SCHEMBL3670313

CCCCOC(=O)N(CCCC)Cc1cc(C(F)(F)F)cc(-c2ccccc2)c1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FSHR P23945 1/20 0.41
GPBAR1 Q8TDU6 4/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGIR P43119 1/20 0.39
PTGDR Q13258 1/20 0.39
TACR1 P25103 2/20 0.38
CETP P11597 1/20 0.38
CYP2D6 P10635 1/20 0.37
EGFR P00533 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CNR2 P34972 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
SCHEMBL3670312 0.90 FSHR (0.43) FSHRGPBAR1PTGDR2CYP3A4CYP2C9
SCHEMBL3669059 0.88 TACR1 (0.43) GPBAR1PTGDR2TACR1CNR2
SCHEMBL3672254 0.86 PTGDR2 (0.42) GPBAR1PTGDR2TACR1CETPCNR2
SCHEMBL3671421 0.84 GPBAR1 (0.41) GPBAR1PTGDR2CYP3A4CYP2C9TBXA2R
SCHEMBL3669056 0.78 TACR1 (0.43) GPBAR1PTGDR2TACR1
SCHEMBL3666383 0.77 S1PR1 (0.43) FSHRPTGDR2CYP3A4CYP2C9TBXA2R
SCHEMBL3672250 0.77 PTGDR2 (0.42) GPBAR1PTGDR2TACR1CETP
SCHEMBL3671417 0.75 GPBAR1 (0.41) FSHRGPBAR1PTGDR2CYP3A4CYP2C9
SCHEMBL3666381 0.75 S1PR1 (0.43) FSHRPTGDR2CYP3A4CYP2C9TBXA2R
SCHEMBL3671391 0.74 TACR1 (0.43) GPBAR1PTGDR2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240434-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS Ligand Pharmaceuticals Inc. (US) 2010-10-20 EP claimed
WO-2009089192-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2009-07-16 WO claimed