SCHEMBL14219313

SCHEMBL14219313

C[C@@H](Cc1c(F)cc(-c2ccc(C3CCC(O)CC3)cc2)cc1F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ESR2 Q92731 2/20 0.36
FFAR1 O14842 1/20 0.36
OPRM1 P35372 1/20 0.35
SOS1 Q07889 1/20 0.35
EGFR P00533 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC18A3 Q16572 1/20 0.34
CCR5 P51681 1/20 0.34
CCR1 P32246 1/20 0.34
PRCP P42785 1/20 0.33
DGAT1 O75907 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
LIPE Q05469 1/20 0.33

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
SCHEMBL14220016 0.85 CYP2C9 (0.39) APPNPC1RAB9AESR2FFAR1
SCHEMBL14219382 0.85 ACACB (0.34) APPNPC1RAB9AFFAR1OPRM1
SCHEMBL14219568 0.83 NPC1 (0.42) NPC1RAB9AESR2FFAR1SOS1
SCHEMBL14219462 0.82 CCR1 (0.39) OPRM1CCR5CCR1
SCHEMBL14219385 0.81 DGAT1 (0.33) APPNPC1RAB9AFFAR1DGAT1
SCHEMBL14219310 0.81 DGAT1 (0.33) APPNPC1RAB9AFFAR1DGAT1
SCHEMBL14220025 0.80 ADRB2 (0.39) CCR1PRCP
SCHEMBL14219465 0.80 ADRB2 (0.39) CCR1PRCP
SCHEMBL14219905 0.77 OPRM1 (0.39) NPC1RAB9AOPRM1
SCHEMBL14219377 0.77 OPRM1 (0.39) NPC1RAB9AOPRM1

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
EP-1650285-B1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEM KK (JP) 2008-04-30 EP disclosed