SCHEMBL9240306

SCHEMBL9240306

CCCCCOc1cnc(-c2ccc(CC(C)OC(=O)CCC)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
PLA2G4B P0C869 1/20 0.40
LTA4H P09960 1/20 0.39

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
SCHEMBL9238536 0.99 RARB (0.46) RARBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9238359 0.99 RARB (0.46) RARBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9238701 0.99 RARB (0.46) RARBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9239319 0.99 RARB (0.46) RARBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9235640 0.97 NPC1 (0.46) RARBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9241323 0.96 RARB (0.44) RARBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9239781 0.94 RARB (0.46) RARBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9233282 0.94 RARB (0.46) RARBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9238713 0.94 RARB (0.46) RARBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9238647 0.94 RARB (0.46) RARBNPC1RAB9AKDM4ESMN1; SMN2

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
US-5389290-A Ferroelectric liquid crystalline materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5089168-A Stable ferroelectric liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-02-18 US disclosed
US-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 US disclosed