SCHEMBL9234271

SCHEMBL9234271

CCCCCCCCCc1cnc(-c2ccc(C(C)CC(=O)OCC(C)CC)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.54
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 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
NPC1 O15118 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
RARA P10276 1/20 0.37
MTOR P42345 1/20 0.37
STAT3 P40763 1/20 0.37
ATM Q13315 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
SCHEMBL9236143 1.00 RARB (0.54) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9241213 1.00 RARB (0.54) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9241148 1.00 RARB (0.54) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9240221 0.99 RARB (0.52) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9233141 0.96 RARB (0.47) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9238906 0.92 RARB (0.41) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9236036 0.89 RARB (0.57) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9237564 0.89 RARB (0.57) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9240809 0.89 RARB (0.57) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9237917 0.89 RARB (0.57) RARBMAPTSMN1; SMN2RAB9AMEN1

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