SCHEMBL9240712

SCHEMBL9240712

CCCCCOc1cnc(-c2ccc(OC(=O)C(C)OCCC)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ LMNA P02545 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ RARB P10826 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ NFKB1 P19838 3/20 0.44
▸ NFKB2 Q00653 3/20 0.44
▸ RELA Q04206 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TSHR P16473 2/20 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
SCHEMBL9240386 0.99 RARB (0.47) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9237811 0.99 RARB (0.47) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9241359 0.99 RARB (0.47) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9238288 0.99 RARB (0.47) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9241328 0.98 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9236469 0.97 RARB (0.47) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9240596 0.96 RARB (0.49) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9238067 0.96 RARB (0.49) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9237528 0.96 RARB (0.49) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9237338 0.95 RARB (0.49) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10

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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