SCHEMBL19985215

SCHEMBL19985215

CCCCCCCCC1CCC(C2CCC(c3ccc(OCC)c(F)c3F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SMN1; SMN2 Q16637 1/20 0.31
OPRL1 P41146 4/20 0.31
KDM1A O60341 2/20 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
SCHEMBL19985220 1.00 GAA (0.36) GAAMAPTMEN1KMT2AHPGD
SCHEMBL19985180 1.00 GAA (0.36) GAAMAPTMEN1KMT2AHPGD
SCHEMBL423545 0.99 MAPT (0.34) GAAMAPTMEN1KMT2AHPGD
SCHEMBL8452731 0.99 MAPT (0.34) GAAMAPTMEN1KMT2AHPGD
SCHEMBL3437333 0.99 MAPT (0.34) GAAMAPTMEN1KMT2AHPGD
SCHEMBL10091129 0.99 MAPT (0.34) GAAMAPTMEN1KMT2AHPGD
SCHEMBL15203896 0.99 MAPT (0.34) GAAMAPTMEN1KMT2AHPGD
SCHEMBL8452717 0.99 MAPT (0.34) GAAMAPTMEN1KMT2AHPGD
SCHEMBL22277339 0.99 MAPT (0.34) GAAMAPTMEN1KMT2AHPGD
SCHEMBL22277435 0.98 GAA (0.34) GAAMAPTMEN1KMT2AHPGD

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