SCHEMBL9238372

SCHEMBL9238372

CCCCCCCCCOc1cnc(-c2ccc(C(C)CC(=O)OC(C)CCCCCC)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
PLA2G4B P0C869 1/20 0.40
ACACB O00763 1/20 0.40
LTA4H P09960 1/20 0.40

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
SCHEMBL9236497 1.00 RARB (0.44) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9240300 1.00 RARB (0.44) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9237681 1.00 RARB (0.44) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9236483 1.00 RARB (0.44) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9235234 0.99 NPC1 (0.43) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9235108 0.97 NPC1 (0.42) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9237200 0.88 RARB (0.48) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9238986 0.88 RARB (0.48) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9235220 0.88 RARB (0.48) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9238972 0.88 RARB (0.48) RARBNPC1RAB9ASMN1; SMN2KDM4E

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