SCHEMBL9238019

SCHEMBL9238019

CCCCCCCCOc1ccc(-c2ncc(CCCC(C)CCCC)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.53
▸ KDM4E B2RXH2 6/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ RARB P10826 4/20 0.51
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ HPGD P15428 4/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ HTT P42858 1/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ NR5A1 Q13285 1/20 0.42

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
SCHEMBL10478069 0.96 RARB (0.53) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10478075 0.95 RARB (0.54) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10478072 0.95 RARB (0.54) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9752441 0.93 RARB (0.52) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9238778 0.93 RARB (0.52) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9237693 0.93 RAB9A (0.53) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10478170 0.93 RARB (0.54) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9239508 0.90 RARB (0.52) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL10472824 0.90 RARB (0.52) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10
SCHEMBL9282659 0.90 RARB (0.52) RAB9AKDM4ENPC1SMN1; SMN2HSD17B10

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 4 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
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 — — EP disclosed
US-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 — — US disclosed
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