SCHEMBL9237601

SCHEMBL9237601

CCCCOc1cnc(-c2ccc(C(C)CC(=O)OCC(C)CC)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FFAR1 O14842 1/20 0.40
MAPK1 P28482 1/20 0.38
RARB P10826 3/20 0.38
ACACB O00763 1/20 0.37

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
SCHEMBL9240231 0.98 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9239752 0.97 RARB (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9241096 0.97 RARB (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9238159 0.97 RARB (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9239638 0.97 RARB (0.43) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9237298 0.96 ACACB (0.40) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9233141 0.88 RARB (0.47) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9237200 0.88 RARB (0.48) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9238986 0.88 RARB (0.48) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9238972 0.88 RARB (0.48) 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 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