SCHEMBL7721859

SCHEMBL7721859

CN(C)C(=O)/C=C/c1ccc(C(=O)Cc2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.49
HSD11B1 P28845 1/20 0.45
MAOB P27338 6/20 0.44
MAOA P21397 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
CYP26A1 O43174 1/20 0.43
CYP26B1 Q9NR63 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL7721861 1.00 TNFRSF1A (0.49) TNFRSF1AHSD11B1MAOBMAOAMAPT
SCHEMBL7720762 0.88 RAB9A (0.54) MAOBMAOAMAPTLMNACYP26A1
SCHEMBL7720766 0.86 NPC1 (0.56) MAOBMAOAMAPTLMNACYP26A1
SCHEMBL7720768 0.86 NPC1 (0.56) MAOBMAOAMAPTLMNACYP26A1
SCHEMBL7069204 0.86 APP (0.51) MAPTLMNACYP26A1CYP26B1CYP1B1
SCHEMBL7069202 0.86 APP (0.51) MAPTLMNACYP26A1CYP26B1CYP1B1
SCHEMBL4900457 0.84 HSD11B1 (0.62) TNFRSF1AHSD11B1MAOBMAOAMAPT
SCHEMBL5694788 0.83 CYP26A1 (0.55) TNFRSF1AHSD11B1MAOBMAOAMAPT
SCHEMBL5694791 0.83 CYP26A1 (0.55) TNFRSF1AHSD11B1MAOBMAOAMAPT
SCHEMBL7073212 0.81 TNFRSF1A (0.42) TNFRSF1AHSD11B1MAOBMAOAMAPT

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-6395932-B1 AMINOALKYL-1,2-DIPHENYL-2-PROPEN-1-ONE WHICH LOWER INTRAOCULAR PRESSURE BY CAUSING MORPHOLOGICAL CHANGE IN TRABECULAR MESHWORK CELLS. SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-05-28 US disclosed