SCHEMBL7528693

SCHEMBL7528693

CCOc1ccc(C(C)(C)C(Cc2cccc(Oc3ccc(OCC(=O)O)cc3)c2)OC(Cc2cccc(Oc3ccc(OCC(=O)O)cc3)c2)C(C)(C)c2ccc(OCC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
LTA4H P09960 1/20 0.40
PPARD Q03181 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CETP P11597 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
SCHEMBL7528135 0.95 FFAR1 (0.56) FFAR1SMN1; SMN2PPARAPPARGFFAR4
SCHEMBL9029858 0.90 LTA4H (0.50) FFAR1SMN1; SMN2PPARAPPARGNPC1
SCHEMBL7520243 0.81 FFAR1 (0.52) FFAR1SMN1; SMN2PPARAPPARGNPC1
SCHEMBL27822189 0.81 NPC1 (0.51) FFAR1SMN1; SMN2PPARAPPARGNPC1
SCHEMBL3633492 0.79 CETP (0.51) FFAR1PPARAPPARGNPC1POLB
SCHEMBL9326504 0.79 PTGES (0.42) FFAR1PPARAPPARGNPC1POLB
SCHEMBL7528688 0.78 FFAR1 (0.50) FFAR1SMN1; SMN2PPARAPPARGNPC1
SCHEMBL10853331 0.76 PPARG (0.41) SMN1; SMN2PPARAPPARGLTA4HPPARD
SCHEMBL7521762 0.75 FFAR1 (0.58) FFAR1SMN1; SMN2PPARAPPARGNPC1
SCHEMBL9031229 0.75 LTA4H (0.42) PPARAPPARGLTA4HPPARDMAPT

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