SCHEMBL7407274

SCHEMBL7407274

CC1(C)OC[C@H](Cc2ccccc2)N1C(C=O)c1ccc(-c2ccc(-c3ccccc3)cc2)o1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.34
SCD5 Q86SK9 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NQO2 P16083 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CCR5 P51681 1/20 0.31
PDE4B Q07343 1/20 0.30
ALOX5 P09917 1/20 0.30
ABHD6 Q9BV23 3/20 0.30
DAGLA Q9Y4D2 3/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL7604100 0.79 ALDH1A1 (0.36) HSD17B2SCD5ALDH1A1HPGDNQO2
SCHEMBL7604096 0.79 ALDH1A1 (0.36) HSD17B2SCD5ALDH1A1HPGDNQO2
SCHEMBL7404865 0.79 TMEM97 (0.31) TMEM97SIGMAR1CCR5ABHD6DAGLA
SCHEMBL7609889 0.76 ALDH1A1 (0.34) HSD17B2SCD5ALDH1A1HPGDNQO2
SCHEMBL7412352 0.76 ALDH1A1 (0.34) HSD17B2SCD5ALDH1A1HPGDNQO2
SCHEMBL7452364 0.74 ALDH1A1 (0.43) SCD5ALDH1A1HPGDPDE4B
SCHEMBL7408391 0.74 ALDH1A1 (0.43) SCD5ALDH1A1HPGDPDE4B
SCHEMBL7407269 0.73 ALDH1A1 (0.38) SCD5ALDH1A1HPGDNQO2ALOX5
SCHEMBL7407270 0.73 ALDH1A1 (0.38) SCD5ALDH1A1HPGDNQO2ALOX5
SCHEMBL7412355 0.71 ALDH1A1 (0.33) SCD5ALDH1A1HPGDABHD6DAGLA

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-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 WO disclosed