SCHEMBL8965677

SCHEMBL8965677

CCCCCC1CCC(C2CC=C(c3ccc(-c4ccc(-c5ccc(OC)c(F)c5F)cc4)cc3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.32
MGLL Q99685 4/20 0.31
CCNT1 O60563 3/20 0.30
CDK9 P50750 3/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
TDP2 O95551 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
SCHEMBL8965887 0.99 MGLL (0.33) NAAAMGLLCCNT1CDK9GRIN1
SCHEMBL8963962 0.94 CCNT1 (0.31) CCNT1CDK9
SCHEMBL8965426 0.94 NAAA (0.33) NAAACCNT1CDK9GRIN1GRIN2B
SCHEMBL8964229 0.93 MGLL (0.31) MGLLCCNT1CDK9
SCHEMBL8965671 0.93 NAAA (0.32) NAAA
SCHEMBL8967361 0.93 CCNT1 (0.31) CCNT1CDK9
SCHEMBL8965665 0.92 S1PR1 (0.32) CCNT1CDK9
SCHEMBL8965689 0.92 S1PR1 (0.31) CCNT1CDK9
SCHEMBL8965890 0.92 NAAA (0.31) NAAA
SCHEMBL8967672 0.92 CNR1 (0.31) CCNT1CDK9

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 2 patents. 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
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP disclosed