SCHEMBL8852835

SCHEMBL8852835

O=C(O)C(Cc1ccc(OCc2ccccc2)cc1)CC(O)CCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.46
PPARA Q07869 3/20 0.46
LTA4H P09960 2/20 0.44
LAP3 P28838 1/20 0.44
MMP12 P39900 1/20 0.43
PPARD Q03181 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
S1PR5 Q9H228 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
YAP1 P46937 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ITGAV P06756 1/20 0.42

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
SCHEMBL8852843 1.00 PPARG (0.46) PPARGPPARALTA4HLAP3MMP12
SCHEMBL27492803 0.83 YAP1 (0.45) LTA4HLAP3ITGB3ITGA2BYAP1
SCHEMBL8460143 0.76 REN (0.59) YAP1
SCHEMBL8460817 0.76 REN (0.59) YAP1
SCHEMBL4883264 0.74 EPHX2 (0.64) LTA4HKDM4EKMT2ASMN1; SMN2
SCHEMBL28064096 0.74 PPARG (0.57) PPARGPPARALTA4HLAP3PPARD
SCHEMBL28224291 0.73 FFAR1 (0.64) PPARGPPARALTA4HLAP3MMP12
SCHEMBL28860722 0.73 FFAR1 (0.64) PPARGPPARALTA4HLAP3MMP12
SCHEMBL8892865 0.73 LTA4H (0.64) PPARGPPARALTA4HLAP3PPARD
SCHEMBL8892873 0.73 LTA4H (0.64) PPARGPPARALTA4HLAP3PPARD

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
US-5663200-A CARBAMOYL PEPTIDE DERIVATIVES AS VIRICIDES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed