SCHEMBL14219901

SCHEMBL14219901

CCCc1ccc(CCc2ccc(-c3ccc(C[C@@H](C)c4ccccc4)cc3)cc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CYP19A1 P11511 1/20 0.35
POLB P06746 1/20 0.35
PPARA Q07869 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
RARB P10826 2/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
ADRB3 P13945 3/20 0.33
ADRB1 P08588 2/20 0.33
BRS3 P32247 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
SCHEMBL14219555 1.00 SIGMAR1 (0.39) SIGMAR1HTR2AHTR2CCYP19A1POLB
SCHEMBL14220256 0.96 SIGMAR1 (0.40) SIGMAR1HTR2AHTR2CCYP19A1POLB
SCHEMBL14219304 0.95 RARB (0.39) SIGMAR1HTR2AHTR2CCYP19A1POLB
SCHEMBL14219366 0.92 RARB (0.38) SIGMAR1CYP19A1POLBPPARAESR1
SCHEMBL14219953 0.88 SIGMAR1 (0.34) SIGMAR1HTR2AHTR2CCYP19A1POLB
SCHEMBL14219419 0.88 SIGMAR1 (0.34) SIGMAR1HTR2AHTR2CCYP19A1POLB
SCHEMBL14219564 0.86 SIGMAR1 (0.39) SIGMAR1POLBESR1ESR2RARB
SCHEMBL14219554 0.85 PDPK1 (0.40) SIGMAR1POLBESR1ESR2ADRB3
SCHEMBL14219895 0.85 PDPK1 (0.40) SIGMAR1POLBESR1ESR2ADRB3
SCHEMBL14219559 0.85 HTR2A (0.34) SIGMAR1HTR2AHTR2CCYP19A1POLB

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