SCHEMBL9979552

SCHEMBL9979552

O=C1c2cccc(CO)c2CN1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 5/20 0.41
CBLB Q13191 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
LIPE Q05469 5/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 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
SCHEMBL9979474 0.88 UGCG (0.41) UGCGCBLBNPC1RAB9APKM
SCHEMBL9979557 0.84 UGCG (0.45) UGCGCBLB
SCHEMBL9979597 0.84 UGCG (0.43) UGCGNPC1RAB9APKMLIPE
SCHEMBL9979659 0.81 UGCG (0.43) UGCGCBLBNPC1RAB9APKM
SCHEMBL9979596 0.81 KDM4E (0.47) UGCGNPC1RAB9APKMLIPE
SCHEMBL9979556 0.80 GRM1 (0.43) UGCGCBLBNPC1RAB9APKM
SCHEMBL9979657 0.80 NPC1 (0.55) UGCGCBLBNPC1RAB9APKM
SCHEMBL9979658 0.80 UGCG (0.42) UGCGCBLBNPC1RAB9APKM
SCHEMBL9979466 0.79 UGCG (0.44) UGCGNPC1RAB9APKMLIPE
SCHEMBL28623206 0.76 NPC1 (0.68) NPC1RAB9APKMLIPETP53

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-2012081570-A1 LACTAM COMPOUND OR A SALT THEREOF, AND PPAR ACTIVATOR あすか製薬株式会社 (JP) 2012-06-21 WO disclosed