SCHEMBL10641719

SCHEMBL10641719

CCC(=CC(=O)O)c1ccc(NC(=O)C(C)(C)CCCOc2cc(CC)ccc2CC)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.41
▸ CYP3A4 P08684 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ACAT1 P24752 1/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ NR1H4 Q96RI1 2/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL10640332 0.83 PPARA (0.52) PPARATSHRKDM4EMAPTALOX15
SCHEMBL10641703 0.81 PPARA (0.41) PPARACYP3A4TSHRKDM4ETP53
SCHEMBL10641727 0.81 PPARA (0.41) PPARACYP3A4TSHRKDM4ETP53
SCHEMBL10640155 0.79 KDM4E (0.40) PPARAKDM4EKMT2AMEN1TDP1
SCHEMBL10640153 0.79 KDM4E (0.40) PPARAKDM4EKMT2AMEN1TDP1
SCHEMBL10641711 0.77 FDPS (0.43) PPARAKDM4EMAPTLMNAALDH1A1
SCHEMBL10639810 0.77 TSHR (0.54) PPARATSHRKDM4EMAPTALOX15
SCHEMBL10641742 0.76 NR1H4 (0.41) PPARACYP3A4TSHRKDM4ETP53
SCHEMBL9540088 0.72 PPARA (0.56) PPARATSHRSMN1; SMN2PPARGCYP1A2
SCHEMBL10635725 0.70 PPARA (0.55) PPARATSHRKDM4EMAPTALOX15

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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