SCHEMBL10635845

SCHEMBL10635845

Cc1cc(OCCCC(C)(C)C(=O)Nc2ccc(C=CC(=O)O)cc2)c(C)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 9/20 0.42
▸ TTR P02766 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SLCO1B3 Q9NPD5 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42
▸ SLCO1B1 Q9Y6L6 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ TRPV1 Q8NER1 2/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ KDM4E B2RXH2 3/20 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
SCHEMBL10635838 1.00 PPARA (0.42) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL10638439 0.91 KDM4E (0.47) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL10638443 0.91 KDM4E (0.47) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL10635771 0.89 CYP3A4 (0.46) PPARATTRNR1H4CA12CA1
SCHEMBL10635767 0.89 CYP3A4 (0.46) PPARATTRNR1H4CA12CA1
SCHEMBL10641181 0.87 KDM4E (0.48) PPARAS1PR1KDM4EPKMALDH1A1
SCHEMBL10641174 0.87 KDM4E (0.48) PPARAS1PR1KDM4EPKMALDH1A1
SCHEMBL10638488 0.87 PPARA (0.60) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL10638480 0.87 PPARA (0.60) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL10638582 0.85 PPARA (0.40) PPARATTRCYP1A2CYP2C8CHRM1

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
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