SCHEMBL19985290

SCHEMBL19985290

CC/C=C\Cc1ccc(C2CCC(C3CCC(CCCC)CC3)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
OPRL1 P41146 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
SCHEMBL19985288 0.97 GAA (0.32) MEN1GAAMAPTKMT2A
SCHEMBL19985311 0.95 GAA (0.34) MEN1GAAMAPTKMT2A
SCHEMBL19985301 0.95 GAA (0.34) MEN1GAAMAPTKMT2A
SCHEMBL19985306 0.95 GAA (0.34) MEN1GAAMAPTKMT2A
SCHEMBL19985281 0.93 CYP2C9 (0.33) MEN1MAPTCYP2C9MAPK1KMT2A
SCHEMBL19985606 0.92 GAA (0.32) MEN1NPC1CYP1A2GAACYP2D6
SCHEMBL8963291 0.90 GAA (0.31) GAAMAPT
SCHEMBL19985277 0.89
SCHEMBL19985611 0.89 GAA (0.34) MEN1GAAMAPTKMT2A
SCHEMBL19985616 0.88 GAA (0.35) MEN1GAAMAPTKMT2A

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-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed