SCHEMBL14219366

SCHEMBL14219366

CCCc1ccc(-c2ccc(-c3ccc(C[C@H](C)c4ccccc4)cc3)cc2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.38
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
SIGMAR1 Q99720 3/20 0.37
ACP3 P15309 2/20 0.37
CYP19A1 P11511 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PPARA Q07869 1/20 0.36
ADRB3 P13945 5/20 0.36
ADRB1 P08588 4/20 0.36
KIFC1 Q9BW19 2/20 0.34
POLB P06746 1/20 0.34
BRS3 P32247 1/20 0.34

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
SCHEMBL14219304 0.97 RARB (0.39) RARBRARARARGSIGMAR1ACP3
SCHEMBL14219953 0.93 SIGMAR1 (0.34) RARBRARARARGSIGMAR1ACP3
SCHEMBL14219419 0.93 SIGMAR1 (0.34) RARBRARARARGSIGMAR1ACP3
SCHEMBL14219901 0.92 SIGMAR1 (0.39) RARBRARARARGSIGMAR1CYP19A1
SCHEMBL14219555 0.92 SIGMAR1 (0.39) RARBRARARARGSIGMAR1CYP19A1
SCHEMBL14220256 0.89 SIGMAR1 (0.40) RARBRARARARGSIGMAR1CYP19A1
SCHEMBL14219294 0.85 SIGMAR1 (0.38) RARBRARARARGSIGMAR1ACP3
SCHEMBL14219549 0.84 CYP19A1 (0.34) SIGMAR1ACP3CYP19A1ESR1ESR2
SCHEMBL14219429 0.83 CYP17A1 (0.44) ACP3ESR1ESR2ADRB3ADRB1
SCHEMBL14219547 0.83 RARB (0.36) RARBRARARARGSIGMAR1ACP3

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