SCHEMBL9240680

SCHEMBL9240680

CCCOc1cnc(-c2ccc(OC(=O)C(C)OCC)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ACACB O00763 8/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ACACA Q13085 5/20 0.41
▸ KMT2A Q03164 1/20 0.38
▸ PLK1 P53350 1/20 0.38

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
SCHEMBL9241324 0.95 NPC1 (0.49) MAPTNPSR1NPC1RAB9AHSD17B10
SCHEMBL10721844 0.94 RARB (0.45) MAPTNPSR1NPC1RAB9AHSD17B10
SCHEMBL9239316 0.94 NPC1 (0.44) MAPTNPSR1L3MBTL1NPC1RAB9A
SCHEMBL9237134 0.93 NPC1 (0.47) MAPTNPSR1NPC1RAB9AHSD17B10
SCHEMBL9235055 0.92 RARB (0.47) MAPTNPSR1NPC1RAB9AHSD17B10
SCHEMBL9236910 0.92 RARB (0.47) MAPTNPSR1NPC1RAB9AHSD17B10
SCHEMBL9240654 0.92 RARB (0.47) MAPTNPSR1NPC1RAB9AHSD17B10
SCHEMBL9238833 0.92 RARB (0.47) MAPTNPSR1NPC1RAB9AHSD17B10
SCHEMBL9239932 0.92 NPC1 (0.48) MAPTNPSR1L3MBTL1NPC1RAB9A
SCHEMBL9241328 0.90 NPC1 (0.49) MAPTNPSR1NPC1RAB9AHSD17B10

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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