SCHEMBL4729128

SCHEMBL4729128

COc1ccc(CCON=CCCc2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.47
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
PTPN1 P18031 2/20 0.45
LMNA P02545 2/20 0.42
PLA2G4B P0C869 1/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4730624 0.90 PPARD (0.44) FFAR1PPARDPPARALMNAPOLB
SCHEMBL4727921 0.90 FFAR1 (0.53) FFAR1PPARDPPARAPPARGPTPN1
SCHEMBL4729527 0.85 PPARD (0.49) FFAR1PPARDPPARAPPARGPTPN1
SCHEMBL4727918 0.79 PPARG (0.46) PPARAPPARGSMN1; SMN2
SCHEMBL4727801 0.79 PPARA (0.46) FFAR1PPARDPPARAPPARGPTPN1
SCHEMBL4727800 0.79 PPARA (0.46) FFAR1PPARDPPARAPPARGPTPN1
SCHEMBL4729104 0.75 PPARD (0.52) FFAR1PPARDPPARAPPARGSMN1; SMN2
SCHEMBL656832 0.75 LMNA (0.67) FFAR1PPARDPPARAPPARGLMNA
Hydrochloric Acid SCHEMBL3246059 0.73 LMNA (0.65) FFAR1PPARDPPARAPPARGLMNA
SCHEMBL27906819 0.73 LMNA (0.65) FFAR1PPARDPPARAPPARGLMNA

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-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO claimed
WO-2008035359-A2 OXIMINOPHENOXYALKANOIC ACID AND PHENYLALKANOIC ACID DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2008-03-27 WO disclosed