SCHEMBL9233141

SCHEMBL9233141

CCCCc1cnc(-c2ccc(C(C)CC(=O)OCC(C)CC)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.47
MAPT P10636 7/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
RAB9A P51151 8/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
FFAR1 O14842 1/20 0.37
NPC1 O15118 6/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL9240221 0.97 RARB (0.52) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9241148 0.96 RARB (0.54) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9234271 0.96 RARB (0.54) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9241213 0.96 RARB (0.54) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9236143 0.96 RARB (0.54) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9238906 0.94 RARB (0.41) RARBMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL9237601 0.88 NPC1 (0.44) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9240231 0.86 NPC1 (0.43) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9239669 0.86 RARB (0.54) RARBMAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL9233258 0.86 RARB (0.50) RARBMAPTSMN1; SMN2RAB9AKDM4E

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