SCHEMBL20117616

SCHEMBL20117616

CCCC1CCC(c2ccc3c(c2F)-c2c-3cc(CCc3ccc(C)cc3)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.32
OPRL1 P41146 4/20 0.32
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL20102569 0.91 SPHK1 (0.36) FFAR4
SCHEMBL20111714 0.91 HRH3 (0.35) OPRL1MEN1MAPK1KMT2A
SCHEMBL20117618 0.87 FFAR4 (0.32) FFAR4
SCHEMBL20102485 0.85 MEN1 (0.32) OPRL1MEN1MAPK1KMT2A
SCHEMBL20102476 0.84 CYP2C9 (0.36) OPRL1MEN1MAPK1KMT2A
SCHEMBL20102484 0.84 MEN1 (0.32) OPRL1MEN1MAPK1KMT2A
SCHEMBL20102477 0.82 MEN1 (0.36) OPRL1MEN1MAPK1KMT2A
SCHEMBL20102492 0.82 CYP2C9 (0.32) OPRL1MEN1MAPK1KMT2A
SCHEMBL20102486 0.81 OPRL1 (0.39) OPRL1MEN1MAPK1KMT2A
SCHEMBL20102478 0.81 GAA (0.32) OPRL1MEN1KMT2A

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
EP-3315583-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-02 EP disclosed