SCHEMBL9204701

SCHEMBL9204701

CCCCCCCC/C=C/CCCCCCCC(=O)Sc1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.53
SOAT1 P35610 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 4/20 0.49
F7 P08709 4/20 0.49
F3 P13726 4/20 0.49
PPARG P37231 3/20 0.49
PPARD Q03181 3/20 0.49
PPARA Q07869 3/20 0.49
FABP4 P15090 3/20 0.49
HSD17B10 Q99714 3/20 0.49
DUSP3 P51452 2/20 0.49
LMNA P02545 2/20 0.49
CYP19A1 P11511 2/20 0.49

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
SCHEMBL9204706 1.00 FAAH (0.53) FAAHSOAT1CYP3A4CYP1A2CYP2C19
SCHEMBL8923210 0.85 SOAT2 (0.59) FAAHSOAT1CYP3A4CYP1A2CYP2C19
SCHEMBL1875392 0.79 HSD17B3 (0.59) FAAHSOAT1CYP3A4CYP1A2CYP2C19
SCHEMBL9205011 0.76 PSMB11 (0.78) FAAHSOAT1CYP3A4CYP1A2CYP2C19
SCHEMBL3922002 0.76 PSMB11 (0.78) FAAHSOAT1CYP3A4CYP1A2CYP2C19
SCHEMBL21367188 0.76 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1LMNAFFAR1
Aminobenzoic Acid SCHEMBL11488167 0.76 MAPT (0.53) FAAHCYP1A2CYP2C19KMT2ATP53
SCHEMBL14722425 0.75 CES2 (0.54) KMT2AMEN1ALDH1A1PPARGPPARD
SCHEMBL21357337 0.74 TP53 (0.53) KMT2AMEN1TP53ALDH1A1TSHR
Aminobenzoic Acid SCHEMBL11486804 0.74 ALDH1A1 (0.50) KMT2AMEN1TP53KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed