SCHEMBL7669137

SCHEMBL7669137

CNCCCCCCN(C)C(=O)c1ccco1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
ALDH1A1 P00352 2/20 0.50
PKM P14618 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
TMEM97 Q5BJF2 1/20 0.45
HDAC3 O15379 1/20 0.42
GAA P10253 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL7667833 0.88 BRD4 (0.50) BRD4ALDH1A1PKMSMN1; SMN2TMEM97
SCHEMBL14175058 0.77 MAPT (0.47) BRD4ALDH1A1PKMSMN1; SMN2GAA
SCHEMBL8547801 0.77 BRD4 (0.50) BRD4ALDH1A1SMN1; SMN2TMEM97GAA
SCHEMBL13947941 0.77 BRD4 (0.48) BRD4ALDH1A1PKMSMN1; SMN2TMEM97
SCHEMBL1060677 0.71 PTPN1 (0.47) ALDH1A1PKMSMN1; SMN2GAANPC1
SCHEMBL16313522 0.70 CYP1A2 (0.56) ALDH1A1PKMSMN1; SMN2GAANPC1
SCHEMBL31298081 0.70 HDAC6 (0.50) HDAC3
SCHEMBL743549 0.69 CES2 (0.58) ALDH1A1PKMSMN1; SMN2GAANPC1
SCHEMBL12926147 0.69 ERCC5 (0.54) ALDH1A1PKMSMN1; SMN2HDAC3NPC1
SCHEMBL8478724 0.69 GAA (0.44) ALDH1A1PKMSMN1; SMN2HDAC3GAA

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
US-6355641-B1 HYPOTENSIVE AGENTS AND WOUND HEALING AGENTS SYNTEX (U.S.A.) LLC 2002-03-12 US disclosed
WO-2000055143-A1 OXAZOLONE DERIVATIVES AND THEIR USE AS ALPHA-1 ADRENORECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-09-21 WO disclosed