SCHEMBL19985603

SCHEMBL19985603

C=CCOc1ccc(-c2ccc(C3CCC(CCCC)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.36
HTR2A P28223 7/20 0.36
HTR2B P41595 6/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2D6 P10635 2/20 0.33
GAA P10253 2/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 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
SCHEMBL19985605 0.97 HTR2C (0.36) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985625 0.96 HTR2C (0.35) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985620 0.96 HTR2C (0.35) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985612 0.96 HTR2C (0.35) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL8935162 0.95 HTR2C (0.35) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985593 0.93 HTR2C (0.38) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL19985272 0.92 HTR2C (0.37) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL8962413 0.92 HTR2C (0.33) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL8935665 0.91 HTR2C (0.34) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL8935430 0.91 HTR2C (0.34) HTR2CHTR2AHTR2BMEN1KMT2A

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