SCHEMBL9075469

SCHEMBL9075469

CCCc1ccc(-c2ccc(C(C)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
MCL1 Q07820 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
PLK1 P53350 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
FDFT1 P37268 2/20 0.37
CA2 P00918 1/20 0.37
KIF11 P52732 2/20 0.37
RARB P10826 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
HRH4 Q9H3N8 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
SCHEMBL17882028 0.94 LPL (0.43) MAOBTAAR1LPLLIPGPLK1
SCHEMBL9074940 0.89 RARB (0.50) MAOBPLK1NISCHHRH3NPC1
SCHEMBL9074966 0.87 RARB (0.51) LPLLIPGHRH3MAPTRAB9A
SCHEMBL9809579 0.86 MAOB (0.63) MAOBTAAR1FDFT1KIF11
SCHEMBL9075799 0.85 HSD17B10 (0.54) LPLLIPGHRH3MAPTRAB9A
SCHEMBL9074699 0.85 HSD17B10 (0.54) LPLLIPGHRH3MAPTRAB9A
SCHEMBL9075420 0.85 HSD17B10 (0.54) LPLLIPGHRH3MAPTRAB9A
SCHEMBL8990753 0.84 MAOB (0.61) MAOBTAAR1FDFT1KIF11
SCHEMBL9074271 0.83 MAOB (0.41) MAOBTAAR1NPC1RAB9AKIF11
SCHEMBL21322216 0.82 CA2 (0.47) TAAR1LPLLIPGPLK1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0465621-B1 PARTIALLY FLUORINATED COMPOUNDS MERCK PATENT GMBH (DE) 1996-11-13 EP disclosed
WO-1991011418-A1 PARTIALLY FLUORINATED COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-08-08 WO disclosed