SCHEMBL8938941

SCHEMBL8938941

CCCCCCCCOc1ccc(-c2ccc(-c3ccc(C4=CCC(CCCCC)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.33
PTPN11 Q06124 2/20 0.32
SOAT1 P35610 1/20 0.32
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
FLT3 P36888 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
GAS6 Q14393 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
SCHEMBL8939003 1.00 ESR2 (0.33) ESR2PTPN11SOAT1AVPR2AVPR1A
SCHEMBL8938932 1.00 ESR2 (0.33) ESR2PTPN11SOAT1AVPR2AVPR1A
SCHEMBL8938988 1.00 ESR2 (0.33) ESR2PTPN11SOAT1AVPR2AVPR1A
SCHEMBL8938992 1.00 ESR2 (0.33) ESR2PTPN11SOAT1AVPR2AVPR1A
SCHEMBL8938981 1.00 ESR2 (0.33) ESR2PTPN11SOAT1AVPR2AVPR1A
SCHEMBL8938942 1.00 ESR2 (0.33) ESR2PTPN11SOAT1AVPR2AVPR1A
SCHEMBL8939027 1.00 ESR2 (0.33) ESR2PTPN11SOAT1AVPR2AVPR1A
SCHEMBL8938934 1.00 ESR2 (0.33) ESR2PTPN11SOAT1AVPR2AVPR1A
SCHEMBL8938929 0.99 ESR2 (0.34) ESR2PTPN11SOAT1AVPR2AVPR1A
SCHEMBL8938979 0.98 ESR2 (0.33) ESR2FLT3TYRO3MERTKGAS6

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
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed