SCHEMBL9240296

SCHEMBL9240296

CCCCCCCCCCc1cnc(-c2ccc(CCC(=O)OC[C@H](C)CC)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.56
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RARA P10276 1/20 0.43
MTOR P42345 1/20 0.43
NPC1 O15118 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
P2RY10 O00398 4/20 0.41
THRA P10827 1/20 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
SCHEMBL9240298 1.00 RARB (0.56) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9240593 1.00 RARB (0.56) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9239416 1.00 RARB (0.56) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9239412 1.00 RARB (0.56) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9237430 1.00 RARB (0.56) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL10719090 1.00 RARB (0.56) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9237939 1.00 RARB (0.56) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9237434 1.00 RARB (0.56) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9240744 0.99 RARB (0.54) RARBMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9240743 0.99 RARB (0.54) 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 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