SCHEMBL13586207

SCHEMBL13586207

CCCC1CCC(c2ccc(-c3ccc(/C=C/c4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
OPRL1 P41146 8/20 0.32

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
SCHEMBL13586278 0.92 BRD4 (0.33) BRD4
SCHEMBL12823200 0.88
SCHEMBL12716457 0.88
SCHEMBL12739393 0.87 OPRL1 (0.34) OPRL1
SCHEMBL9015837 0.86 CYP2C9 (0.33) OPRL1
SCHEMBL12739397 0.86 HDAC3 (0.35) OPRL1
SCHEMBL12821116 0.85 BRD4 (0.32) BRD4OPRL1
SCHEMBL13586612 0.85 BRD4 (0.36) BRD4OPRL1
SCHEMBL12822708 0.85 OPRL1 (0.33) OPRL1
SCHEMBL13668884 0.84 OPRL1 (0.38) BRD4OPRL1

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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO disclosed