SCHEMBL14219957

SCHEMBL14219957

C/C=C/CCc1c(F)cc(-c2ccc(-c3ccc(C[C@H](C)c4ccccc4)cc3)cc2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
POLB P06746 1/20 0.32
SIGMAR1 Q99720 4/20 0.32
OPRM1 P35372 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
NR3C2 P08235 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
FFAR1 O14842 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30
AKR1C3 P42330 1/20 0.30

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
SCHEMBL14219887 0.98 SIGMAR1 (0.33) ACP3ESR1ESR2POLBSIGMAR1
SCHEMBL14219293 0.96 ACP3 (0.32) ACP3ESR1ESR2AKR1C3
SCHEMBL14219546 0.92 PTGS1 (0.32) ACP3ESR1ESR2FFAR1AKR1C3
SCHEMBL14219551 0.91 POLB (0.34) ACP3POLBSIGMAR1OPRM1ADRB1
SCHEMBL14219364 0.91 POLB (0.34) ACP3POLBSIGMAR1OPRM1ADRB1
SCHEMBL14219898 0.89 POLB (0.33) ACP3POLBSIGMAR1OPRM1ADRB1
SCHEMBL14219566 0.89 POLB (0.33) ACP3POLBSIGMAR1OPRM1ADRB1
SCHEMBL14219549 0.87 CYP19A1 (0.34) ACP3ESR1ESR2POLBSIGMAR1
SCHEMBL14219314 0.85 HTR2A (0.34) ACP3ESR1ESR2POLBSIGMAR1
SCHEMBL14219315 0.85 POLB (0.33) POLBSIGMAR1OPRM1ADRB1ADRB3

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