SCHEMBL7528130

SCHEMBL7528130

CC(CO)(CCc1cccc(Oc2ccccc2)c1)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.56
FFAR4 Q5NUL3 3/20 0.48
PPARA Q07869 3/20 0.47
PPARG P37231 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
GNA15 P30679 1/20 0.42
PTGER3 P43115 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGIR P43119 1/20 0.41

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
SCHEMBL7528688 0.95 FFAR1 (0.50) FFAR1FFAR4PPARAPPARGSMN1; SMN2
SCHEMBL9861998 0.88 LTA4H (0.49) FFAR1FFAR4PPARASMN1; SMN2POLB
SCHEMBL9326496 0.84 P2RX3 (0.43) FFAR1FFAR4POLBTDP1
SCHEMBL11236257 0.79 MMP13 (0.48) FFAR1SMN1; SMN2POLB
SCHEMBL7521762 0.78 FFAR1 (0.58) FFAR1FFAR4PPARAPPARGSMN1; SMN2
SCHEMBL9029865 0.76 LTA4H (0.49) FFAR1FFAR4PPARASMN1; SMN2POLB
SCHEMBL7528135 0.76 FFAR1 (0.56) FFAR1FFAR4PPARAPPARGSMN1; SMN2
SCHEMBL1745006 0.76 FFAR1 (0.73) FFAR1FFAR4PPARGALOX15
SCHEMBL9799770 0.73 LTA4H (0.54) FFAR1FFAR4PPARASMN1; SMN2POLB
SCHEMBL7520243 0.73 FFAR1 (0.52) FFAR1FFAR4PPARAPPARGSMN1; SMN2

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