SCHEMBL10639913

SCHEMBL10639913

CCc1cccc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ TSHR P16473 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ CYP2C8 P10632 2/20 0.58
▸ TTR P02766 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ PPARG P37231 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ SLCO1B3 Q9NPD5 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ CISD1 Q9NZ45 1/20 0.58
▸ SLCO1B1 Q9Y6L6 1/20 0.58
▸ NR1H4 Q96RI1 1/20 0.53
▸ TAS1R3 Q7RTX0 1/20 0.47
▸ TAS1R1 Q7RTX1 1/20 0.47
▸ TAS1R2 Q8TE23 1/20 0.47
▸ HDAC3 O15379 2/20 0.43

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
SCHEMBL10639447 0.88 PPARA (0.56) PPARASMN1; SMN2TSHRCYP2C9CYP2C8
SCHEMBL10639510 0.88 PPARA (0.52) PPARASMN1; SMN2TSHRCYP2C9CYP2C8
SCHEMBL10639338 0.87 PPARA (0.56) PPARASMN1; SMN2TSHRCYP2C9CYP2C8
SCHEMBL10474644 0.86 PPARA (0.60) PPARASMN1; SMN2TSHRCYP2C9CYP2C8
SCHEMBL21391370 0.86 PPARA (0.60) PPARASMN1; SMN2TSHRCYP2C9CYP2C8
Hydrochloric Acid SCHEMBL10522506 0.86 PPARA (0.52) PPARASMN1; SMN2TSHRCYP2C9CYP2C8
SCHEMBL10635490 0.85 SMN1; SMN2 (0.61) PPARASMN1; SMN2TSHRCYP2C9CYP2C8
SCHEMBL10521691 0.84 PPARA (0.58) PPARASMN1; SMN2TSHRCYP2C9CYP2C8
SCHEMBL21391385 0.84 PPARA (0.69) PPARASMN1; SMN2TSHRCYP2C9CYP2C8
SCHEMBL10473984 0.84 PPARA (0.68) PPARASMN1; SMN2TSHRCYP2C9CYP2C8

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-0134337-B1 SUBSTITUTED 2,2-DIMETHYL-5-PHENOXYPENTANOIC ACID BENZAMIDES AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-01-07 — — EP claimed
Send feedback