SCHEMBL8558566

SCHEMBL8558566

CCCCCCCCCc1ccc(-c2cnc(-c3ccc4c(c3)CC(CCCCCCCC)C4)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
S1PR3 Q99500 2/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37

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
SCHEMBL8540796 0.83 RAB9A (0.46) S1PR3RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL8553176 0.82 CYP3A4 (0.46) CYP3A4CYP2C9S1PR3CYP2C8CYP2D6
SCHEMBL7933637 0.82 RAB9A (0.54) CYP3A4RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL8883086 0.82 RAB9A (0.54) CYP3A4RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL8557226 0.81 MAPT (0.50) CYP3A4CYP2C9S1PR3CYP2C8CYP2D6
SCHEMBL8553142 0.79 RAB9A (0.55) CYP3A4CYP2C9S1PR3CYP2C8CYP2D6
SCHEMBL7118001 0.79 RARB (0.50) CYP3A4CYP2C9S1PR3CYP2C8CYP2D6
SCHEMBL8552427 0.79 RARB (0.50) CYP3A4CYP2C9S1PR3CYP2C8CYP2D6
SCHEMBL8552162 0.79 RARB (0.50) CYP3A4CYP2C9S1PR3CYP2C8CYP2D6
SCHEMBL8551522 0.78 CYP3A4 (0.42) CYP3A4CYP2C9S1PR3CYP2C8CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546338-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1998-02-04 EP disclosed
US-5385692-A Improved response CANON KABUSHIKI KAISHA (JP) 1995-01-31 US disclosed
EP-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed