SCHEMBL9239752

SCHEMBL9239752

CCCCCCCOc1cnc(-c2ccc(C(C)CC(=O)OCC(C)CC)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 4/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
PLA2G4B P0C869 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.40
ACACB O00763 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
SCHEMBL9241096 1.00 RARB (0.43) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9238159 1.00 RARB (0.43) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9239638 1.00 RARB (0.43) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9240231 0.99 NPC1 (0.43) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9237601 0.97 NPC1 (0.44) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9237298 0.93 ACACB (0.40) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9235220 0.92 RARB (0.48) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9237200 0.92 RARB (0.48) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9238972 0.92 RARB (0.48) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9238986 0.92 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