SCHEMBL20117906

SCHEMBL20117906

CCCCC1CCC(c2ccc3c(c2F)-c2c-3cc(C3CCC(C4CCC(C)CC4)CC3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OPRL1 P41146 2/20 0.31

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
SCHEMBL20111369 0.96 GAA (0.32) GAAMAPT
SCHEMBL20102595 0.93 GAA (0.32) MEN1GAAMAPTKMT2AOPRL1
SCHEMBL20111477 0.91 OPRL1 (0.36) CYP1A2OPRL1
SCHEMBL20102596 0.91 GAA (0.34) MEN1GAAMAPTKMT2AOPRL1
SCHEMBL20102605 0.91 GAA (0.34) MEN1GAAMAPTKMT2AOPRL1
SCHEMBL20117682 0.90
SCHEMBL20117743 0.87
SCHEMBL20117735 0.87 SCN9A (0.36) HPGD
SCHEMBL20102554 0.86 MEN1 (0.33) MEN1GAAMAPTCYP2C9MAPK1
SCHEMBL20117751 0.86

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