SCHEMBL8937869

SCHEMBL8937869

CCCCCCCC1CC=C(c2ccc(-c3ccc(-c4ccc(OC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.35
NAAA Q02083 3/20 0.34
CCNT1 O60563 4/20 0.33
CDK9 P50750 4/20 0.33
FSHR P23945 1/20 0.32
TDP2 O95551 1/20 0.32
ESR2 Q92731 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
CYP17A1 P05093 1/20 0.30
HTR2C P28335 1/20 0.30
RARB P10826 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
SCHEMBL8937652 0.99 NAAA (0.34) MGLLNAAACCNT1CDK9FSHR
SCHEMBL8936340 0.93 MGLL (0.33) MGLLNAAACCNT1CDK9FSHR
SCHEMBL8937875 0.93 NAAA (0.33) NAAAESR2RARB
SCHEMBL8936247 0.92 ESR2 (0.34) MGLLNAAACCNT1CDK9ESR2
SCHEMBL8937308 0.92 NAAA (0.36) NAAACCNT1CDK9TDP2ESR2
SCHEMBL8938966 0.92 ESR2 (0.34) MGLLCCNT1CDK9ESR2CNR1
SCHEMBL8937764 0.92 PTPN11 (0.34) CCNT1CDK9ESR2RARB
SCHEMBL8937749 0.92 PTPN11 (0.34) CCNT1CDK9ESR2RARB
SCHEMBL8937743 0.92 PTPN11 (0.34) CCNT1CDK9ESR2RARB
SCHEMBL8937967 0.92 PTPN11 (0.34) CCNT1CDK9ESR2RARB

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