SCHEMBL8965887

SCHEMBL8965887

CCCCCCCC1CCC(C2CC=C(c3ccc(-c4ccc(-c5ccc(OC)c(F)c5F)cc4)cc3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.33
NAAA Q02083 1/20 0.32
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
CCNT1 O60563 3/20 0.30
CDK9 P50750 3/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
FSHR P23945 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
SCHEMBL8965677 0.99 NAAA (0.32) MGLLNAAACCNT1CDK9GRIN1
SCHEMBL8964229 0.94 MGLL (0.31) MGLLCNR1CNR2CCNT1CDK9
SCHEMBL8965890 0.93 NAAA (0.31) NAAA
SCHEMBL8963962 0.93 CCNT1 (0.31) CCNT1CDK9
SCHEMBL8965426 0.93 NAAA (0.33) NAAACCNT1CDK9GRIN1GRIN2B
SCHEMBL8967672 0.93 CNR1 (0.31) CNR1CNR2CCNT1CDK9
SCHEMBL8965733 0.92 PTPN11 (0.32)
SCHEMBL8965913 0.92 PTPN11 (0.32)
SCHEMBL8965897 0.92 PTPN11 (0.32)
SCHEMBL8965938 0.92 PTPN11 (0.32)

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