SCHEMBL9233265

SCHEMBL9233265

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.49
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
NFKB1 P19838 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 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
SCHEMBL9233263 1.00 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9240743 0.97 RARB (0.54) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9240744 0.97 RARB (0.54) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9237939 0.96 RARB (0.56) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL10719090 0.96 RARB (0.56) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9240296 0.96 RARB (0.56) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9240298 0.96 RARB (0.56) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9240593 0.96 RARB (0.56) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9237430 0.96 RARB (0.56) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9237434 0.96 RARB (0.56) RARBMAPTSMN1; SMN2MEN1ALDH1A1

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