SCHEMBL10653422

SCHEMBL10653422

CCCCCCCCCCCc1cnc(-c2ccc(OC(=O)C(Cl)C(C)CCCC(C)C)cc2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 4/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
THRB P10828 2/20 0.38
THRA P10827 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL10656367 1.00 RARB (0.52) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL10658006 1.00 RARB (0.52) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL10658636 1.00 RARB (0.52) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL10655588 1.00 RARB (0.52) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL10656505 1.00 RARB (0.52) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL10654132 1.00 RARB (0.52) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL10656576 0.99 RARB (0.51) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL10657182 0.99 RARB (0.51) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL10658338 0.99 RARB (0.51) RARBSMN1; SMN2MAPTRAB9AHSD17B10
SCHEMBL10660350 0.99 RARB (0.51) RARBSMN1; SMN2MAPTRAB9AHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257048-A1 OPTICALLY ACTIVE COMPOUNDS. MERCK PATENT GMBH (DE) 1988-03-02 EP disclosed
WO-1987005018-A2 OPTICALLY ACTIVE COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-08-27 WO disclosed