SCHEMBL14922681

SCHEMBL14922681

CCCCOc1ccc(C2CCC(OC(=O)C3CCC(C4CC=C(c5ccc(OCC)c(F)c5F)CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ CCNT1 O60563 3/20 0.30
▸ CDK9 P50750 3/20 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
SCHEMBL14922606 1.00 MEN1 (0.32) MEN1KMT2ASCN9ACCNT1CDK9
SCHEMBL14922637 0.98 SCN9A (0.32) SCN9ACCNT1CDK9
SCHEMBL14922629 0.98 SCN9A (0.32) SCN9ACCNT1CDK9
SCHEMBL14922687 0.96 CCNT1 (0.31) MEN1KMT2ACCNT1CDK9
SCHEMBL14922397 0.96 CCNT1 (0.31) MEN1KMT2ACCNT1CDK9
SCHEMBL14922602 0.95 CCNT1 (0.32) CCNT1CDK9
SCHEMBL14922682 0.95 CCNT1 (0.32) CCNT1CDK9
SCHEMBL12197473 0.94 CCNT1 (0.31) SCN9ACCNT1CDK9
SCHEMBL12197449 0.94 CCNT1 (0.31) SCN9ACCNT1CDK9
SCHEMBL12197443 0.91 CCNT1 (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
Send feedback