SCHEMBL9237111

SCHEMBL9237111

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 3/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RARB P10826 1/20 0.39
ACACA Q13085 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL9239845 0.94 NPC1 (0.48) ACACBLMNANPC1RAB9ASMN1; SMN2
SCHEMBL9237326 0.93 RARB (0.45) ACACBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9239031 0.92 RARB (0.47) ACACBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9240223 0.92 RARB (0.47) ACACBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9240395 0.92 RARB (0.47) ACACBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9239277 0.92 RARB (0.47) ACACBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9234303 0.89 L3MBTL1 (0.42) ACACBL3MBTL1LMNANPC1RAB9A
SCHEMBL9241025 0.88 L3MBTL1 (0.44) ACACBL3MBTL1LMNANPC1RAB9A
SCHEMBL9237218 0.86 NPC1 (0.43) ACACBL3MBTL1LMNANPC1RAB9A
SCHEMBL9238209 0.85 RARB (0.49) ACACBL3MBTL1LMNANPC1RAB9A

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