SCHEMBL9239407

SCHEMBL9239407

CCCCCCc1cnc(-c2ccc([C@@H](C)C(=O)OCC(C)CC)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 5/20 0.45
RAB9A P51151 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
RARA P10276 1/20 0.39
MTOR P42345 1/20 0.39
STAT3 P40763 1/20 0.39
ATM Q13315 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
SCHEMBL9237936 1.00 RARB (0.57) RARBSMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL9237428 1.00 RARB (0.57) RARBSMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL9240292 1.00 RARB (0.57) RARBSMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL9240589 1.00 RARB (0.57) RARBSMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL9240740 0.99 RARB (0.55) RARBSMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL9233258 0.96 RARB (0.50) RARBSMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL9237866 0.91 RARB (0.43) RARBSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL9238955 0.87 RARB (0.62) RARBSMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL9241148 0.86 RARB (0.54) RARBSMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL9236143 0.86 RARB (0.54) RARBSMN1; SMN2MAPTRAB9AALDH1A1

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