SCHEMBL7330816

SCHEMBL7330816

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(c2ccccc2)c2ccc(CCCC(S)NC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CXCR3 P49682 2/20 0.32
MAPT P10636 1/20 0.31
CTSK P43235 4/20 0.31
GAA P10253 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ABCB1 P08183 1/20 0.31
TSHR P16473 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA6 Q16445 1/20 0.30
MMP2 P08253 2/20 0.30
MMP3 P08254 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
SCHEMBL7331888 0.92 SCN9A (0.35) MEN1KMT2ACXCR3MAPTCTSK
SCHEMBL7325148 0.92 ITGB3 (0.32) CTSKGAAPDCD1CD274ABCB1
SCHEMBL7327357 0.91 SCN9A (0.33) MEN1KMT2ACXCR3MAPTCTSK
SCHEMBL7332919 0.90 HDAC1 (0.34) MEN1KMT2ACXCR3CTSKTSHR
SCHEMBL7326194 0.88 PDCD1 (0.37) MEN1KMT2ACXCR3MAPTGAA
SCHEMBL7322604 0.85 SCN9A (0.32) CXCR3CTSKGAAPDCD1CD274
SCHEMBL8842848 0.84 PDCD1 (0.38) MEN1KMT2ACXCR3MAPTGAA
SCHEMBL7325984 0.82 MEN1 (0.36) MEN1KMT2AMAPT
SCHEMBL7326575 0.82 MEN1 (0.31) MEN1KMT2AMAPTGAATSHR
SCHEMBL7330420 0.82 HDAC1 (0.34) CTSKTSHRCTSSKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed