SCHEMBL7328784

SCHEMBL7328784

CCOC(=O)CC(C)N1C(=O)c2cc(C#CC(S)CNC(=O)OC(C)(C)C)ccc2N(C)C(=O)C1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.34
SCN9A Q15858 3/20 0.32
CCKBR P32239 2/20 0.32
SYK P43405 1/20 0.31
CCKAR P32238 1/20 0.31
RIPK1 Q13546 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
P2RX3 P56373 1/20 0.30
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
GABRA4 P48169 1/20 0.30
GABRA6 Q16445 1/20 0.30
HDAC1 Q13547 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 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
SCHEMBL7326553 0.93 MDM2 (0.33) MDM2SCN9ACCKBRSYKCCKAR
SCHEMBL7327814 0.93 MDM2 (0.32) MDM2SCN9ASYKUTS2R
SCHEMBL7323458 0.92 GAA (0.32) MDM2SYKUTS2R
SCHEMBL7323996 0.91 MDM2 (0.36) MDM2SYKRIPK1
SCHEMBL9264467 0.87 MDM2 (0.34) MDM2SCN9ACCKBRCCKARRIPK1
SCHEMBL7321486 0.86 HDAC1 (0.38) MDM2HDAC1HDAC6HDAC3HDAC4
SCHEMBL7331722 0.86 UTS2R (0.34) MDM2UTS2R
SCHEMBL8842971 0.86 MDM2 (0.33) MDM2SCN9ACCKBRCCKARRIPK1
SCHEMBL7325014 0.85 UTS2R (0.32) MDM2UTS2R
SCHEMBL7330723 0.84 MDM2 (0.35) MDM2SYKUTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
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