SCHEMBL9237159

SCHEMBL9237159

CCCCCCCCc1cnc(-c2ccc(CCC(=O)O[C@H](C)CCCCCC)cc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.57
MAPT P10636 6/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RARA P10276 1/20 0.44
MTOR P42345 1/20 0.44
NPC1 O15118 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
THRA P10827 3/20 0.41
THRB P10828 3/20 0.41

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
SCHEMBL9240117 1.00 RARB (0.57) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9236557 1.00 RARB (0.57) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9241014 1.00 RARB (0.57) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9234427 1.00 RARB (0.57) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9237964 0.98 RARB (0.54) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9235216 0.96 RARB (0.51) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9817599 0.87 RARB (0.60) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9624891 0.86 RARB (0.54) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9623890 0.86 RARB (0.54) RARBMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL9241202 0.86 RARB (0.61) RARBMAPTRAB9ASMN1; SMN2MEN1

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 6 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
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP disclosed
US-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 US disclosed
EP-0220297-A1 NITROGEN-CONTAINING HETEROCYCLES. MERCK PATENT GMBH (DE) 1987-05-06 EP disclosed
WO-1986006373-A1 NITROGEN-CONTAINING HETEROCYCLES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1986-11-06 WO disclosed