SCHEMBL7528688

SCHEMBL7528688

CCOc1ccc(C(C)(CO)CCc2cccc(Oc3ccc(OCC(=O)O)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.50
PPARA Q07869 2/20 0.47
PPARG P37231 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
FFAR4 Q5NUL3 2/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 1/20 0.42
LTA4H P09960 1/20 0.40
PPARD Q03181 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
P2RX3 P56373 1/20 0.39

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
SCHEMBL7528130 0.95 FFAR1 (0.56) FFAR1PPARAPPARGSMN1; SMN2FFAR4
SCHEMBL9861998 0.92 LTA4H (0.49) FFAR1PPARASMN1; SMN2FFAR4NPC1
SCHEMBL9029865 0.81 LTA4H (0.49) FFAR1PPARASMN1; SMN2FFAR4NPC1
SCHEMBL7520243 0.79 FFAR1 (0.52) FFAR1PPARAPPARGSMN1; SMN2FFAR4
SCHEMBL9326496 0.79 P2RX3 (0.43) FFAR1FFAR4NPC1POLBCYP2C9
SCHEMBL9799770 0.78 LTA4H (0.54) FFAR1PPARASMN1; SMN2FFAR4NPC1
SCHEMBL7528693 0.78 FFAR1 (0.50) FFAR1PPARAPPARGSMN1; SMN2FFAR4
SCHEMBL8735068 0.77 LTA4H (0.47) FFAR1PPARGSMN1; SMN2FFAR4NPC1
SCHEMBL11236257 0.76 MMP13 (0.48) FFAR1SMN1; SMN2NPC1POLBCYP2C9
SCHEMBL10547619 0.76 LTA4H (0.49) FFAR1PPARAPPARGFFAR4NPC1

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-0645628-B1 Immunological detection method of pyrethroid compound, haptenic compound, intermediate for the haptenic compound, immunogen and antibody MITSUI CHEMICALS INC (JP) 2002-03-06 EP claimed