SCHEMBL11856497

SCHEMBL11856497

CCOc1ccc(COc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.78
FFAR1 O14842 2/20 0.59
FFAR4 Q5NUL3 1/20 0.59
PPARG P37231 2/20 0.59
PPARD Q03181 1/20 0.57
PPARA Q07869 1/20 0.57
APP P05067 1/20 0.56
CHRNA7 P36544 1/20 0.55
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAOB P27338 2/20 0.53
BCHE P06276 1/20 0.53
NQO1 P15559 1/20 0.52

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
SCHEMBL11324524 0.94 LTA4H (0.74) LTA4HPPARGPPARDPPARACHRNA7
SCHEMBL19223062 0.94 LTA4H (0.67) LTA4HAPPCHRNA7LMNACYP1A2
SCHEMBL891493 0.90 FFAR1 (0.69) LTA4HFFAR1FFAR4PPARGAPP
SCHEMBL11855314 0.89 LTA4H (0.60) LTA4HFFAR1FFAR4PPARGPPARD
SCHEMBL11293541 0.88 LMNA (0.67) LTA4HCHRNA7LMNACYP1A2PTGS1
SCHEMBL2759542 0.88 LTA4H (1.00) LTA4HSLC6A2SLC6A3NQO1RAB9A
SCHEMBL11849334 0.86 LMNA (0.69) LTA4HFFAR1FFAR4PPARGAPP
SCHEMBL11844522 0.85 LTA4H (0.67) LTA4HFFAR1FFAR4PPARGAPP
SCHEMBL11853860 0.85 FFAR1 (0.59) LTA4HFFAR1FFAR4PPARGAPP
Ethylene SCHEMBL27940790 0.85 LMNA (0.62) LTA4HCHRNA7LMNACYP1A2PTGS1

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-3987102-A PHENOXY (BENZYLOXY) BENZENE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1976-10-19 US claimed