SCHEMBL9237334

SCHEMBL9237334

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 2/20 0.44
RARB P10826 5/20 0.42
KMT2A Q03164 1/20 0.41
ACACB O00763 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
XIAP P98170 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 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
SCHEMBL9241323 0.97 RARB (0.44) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9237218 0.97 NPC1 (0.43) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9233282 0.96 RARB (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9239781 0.96 RARB (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9238713 0.96 RARB (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9238647 0.96 RARB (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9235640 0.95 NPC1 (0.46) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9240306 0.92 RARB (0.44) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9236189 0.92 NPC1 (0.47) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9239319 0.91 RARB (0.46) 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 2 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