SCHEMBL9236189

SCHEMBL9236189

CCCCOc1cnc(-c2ccc(CC(C)OC(=O)CC)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.45
RARB P10826 5/20 0.43
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
ACACB O00763 1/20 0.41
XIAP P98170 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL9240807 0.97 RARB (0.44) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9235133 0.95 RARB (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9240993 0.95 RARB (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9238192 0.95 RARB (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9237542 0.95 RARB (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9234303 0.94 L3MBTL1 (0.42) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9235640 0.92 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9237334 0.92 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9239845 0.89 NPC1 (0.48) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9237218 0.89 NPC1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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