SCHEMBL7385463

SCHEMBL7385463

Cc1ccccc1C(C(=O)OC1CC(=O)NC1=O)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 4/20 0.34
CRBN Q96SW2 4/20 0.34
ALOX15 P16050 1/20 0.34
GAA P10253 4/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7380755 0.84 KMT2A (0.43) DDB1CRBNGAAHSD17B10TP53
SCHEMBL9249468 0.74 MAP3K14 (0.35) DDB1CRBNGAAMEN1KMT2A
SCHEMBL7385158 0.71 HSD17B10 (0.43) DDB1CRBNGAAHSD17B10TP53
SCHEMBL7270134 0.71 MAP3K14 (0.33) DDB1CRBNMEN1KMT2A
SCHEMBL7378937 0.71 KCNQ2 (0.40) GAAHSD17B10TP53MEN1KMT2A
SCHEMBL11154702 0.71 ALDH1A1 (0.43) ALOX15GAAHSD17B10TP53MEN1
SCHEMBL7379863 0.70 MEN1 (0.44) GAAMEN1KMT2AALDH1A1
SCHEMBL7381326 0.70 MEN1 (0.44) GAAMEN1KMT2AALDH1A1
SCHEMBL7384140 0.69 TP53 (0.39) DDB1CRBNTP53GPBAR1SLC6A2
SCHEMBL7383592 0.68 CHRM2 (0.39) DDB1CRBNMEN1KMT2AALDH1A1

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-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US claimed
US-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US disclosed