SCHEMBL7412355

SCHEMBL7412355

CC(=O)OC(C=O)(c1ccc(-c2ccc(-c3ccccc3)cc2)o1)N1[C@@H](Cc2ccccc2)COC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ABCB1 P08183 2/20 0.32
HDAC1 Q13547 2/20 0.32
SCD5 Q86SK9 1/20 0.32
ABHD6 Q9BV23 3/20 0.31
DAGLA Q9Y4D2 3/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL7452364 0.71 ALDH1A1 (0.43) ALDH1A1HPGDHDAC1SCD5PPARG
SCHEMBL7408391 0.71 ALDH1A1 (0.43) ALDH1A1HPGDHDAC1SCD5PPARG
SCHEMBL7412352 0.71 ALDH1A1 (0.34) ALDH1A1HPGDABCB1HDAC1SCD5
SCHEMBL7609889 0.71 ALDH1A1 (0.34) ALDH1A1HPGDABCB1HDAC1SCD5
SCHEMBL7407274 0.71 HSD17B2 (0.34) ALDH1A1HPGDSCD5ABHD6DAGLA
SCHEMBL7407270 0.71 ALDH1A1 (0.38) ALDH1A1HPGDABCB1SCD5PPARG
SCHEMBL7407269 0.71 ALDH1A1 (0.38) ALDH1A1HPGDABCB1SCD5PPARG
SCHEMBL7604096 0.70 ALDH1A1 (0.36) ALDH1A1HPGDABCB1HDAC1SCD5
SCHEMBL7604100 0.70 ALDH1A1 (0.36) ALDH1A1HPGDABCB1HDAC1SCD5
SCHEMBL7895764 0.67 KLK7 (0.33) ABCB1

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