SCHEMBL14397663

SCHEMBL14397663

CCCC(N)Cc1ccc(OC(C)(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.41
ABCB11 O95342 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
HTR2A P28223 2/20 0.41
PMP22 Q01453 2/20 0.41
PPARG P37231 3/20 0.40
PTPN1 P18031 1/20 0.39
CNR1 P21554 7/20 0.37
CNR2 P34972 5/20 0.37
ACACB O00763 1/20 0.37
ABCB1 P08183 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL2440481 0.89 PPARA (0.44) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL14399507 0.86 EPHX1 (0.45) PPARAPPARGPTPN1CNR1CNR2
SCHEMBL5327207 0.85 PPARG (0.57) PPARACYP1A2CYP3A4PPARGPTPN1
SCHEMBL7094948 0.78 PPARA (0.49) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL318984 0.76 PPARG (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3686993 0.76 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL2440485 0.76 SLC2A1 (0.51) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL25304637 0.75 PPARA (0.46) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4575316 0.75 PPARA (0.51) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5361328 0.75 PPARA (0.48) PPARAABCB11CYP1A2CYP3A4TSHR

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
WO-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed