SCHEMBL14201720

SCHEMBL14201720

CCCc1cccc(Cc2ccc(OC(F)F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.47
DAO P14920 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
PPARG P37231 4/20 0.40
PPARA Q07869 4/20 0.40
LTA4H P09960 2/20 0.40
NLRP3 Q96P20 1/20 0.39
LMNA P02545 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL1696256 0.82 DAO (0.54) BACE1DAOMRGPRX4PPARGPPARA
SCHEMBL27740487 0.82 BACE1 (0.51) BACE1DAOMRGPRX4PPARGPPARA
SCHEMBL8367031 0.82 BACE1 (0.47) BACE1DAOMRGPRX4PPARGPPARA
SCHEMBL8342798 0.82 PPARG (0.50) BACE1DAOPPARGPPARALMNA
SCHEMBL8099663 0.82 MTNR1A (0.49) LTA4HMTNR1AMTNR1B
SCHEMBL8515213 0.79 SLC6A4 (0.47) BACE1DAOMRGPRX4
SCHEMBL3455724 0.78 ACACB (0.48) BACE1DAOMRGPRX4PPARGPPARA
SCHEMBL8092697 0.78 MTNR1A (0.54) LTA4HLMNAMTNR1AMTNR1B
SCHEMBL28247826 0.78 PPARG (0.59) MRGPRX4PPARGPPARALTA4HLMNA
SCHEMBL30370135 0.78 MAOB (0.44) DAOMRGPRX4PPARGPPARANLRP3

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
WO-2007038271-A9 AMINO-5- [4- (DIFLUOROMETHOXY) PHENYL] -5-PHENYLIMIDAZOLONE COMPOUNDS AS INHIBITORS OF THE BETA-SECRETASE (BACE) WYETH CORP (US) 2008-05-08 WO disclosed