SCHEMBL7335676

SCHEMBL7335676

CCOC(=O)CC(C)N1C(=O)c2cc(C#CCCCC#N)ccc2N(c2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.36
HDAC1 Q13547 5/20 0.34
HDAC6 Q9UBN7 4/20 0.34
ELANE P08246 3/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CASP3 P42574 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7333805 0.92 MDM2 (0.35) MDM2HDAC1HDAC6ELANEHDAC3
SCHEMBL7331704 0.91 HDAC1 (0.41) MDM2HDAC1HDAC6HDAC3HDAC4
SCHEMBL7328504 0.90 MDM2 (0.37) MDM2HDAC1HDAC6HDAC3HDAC4
SCHEMBL7329583 0.88 MDM2 (0.41) MDM2HDAC1HDAC6HDAC3HDAC4
SCHEMBL7333912 0.88 ELANE (0.39) MDM2ELANECYP1A2CYP2C9ATM
SCHEMBL7324381 0.87 ADORA3 (0.34) MDM2HDAC1HDAC6HDAC3HDAC4
SCHEMBL8843197 0.86 MAPT (0.32) MDM2ELANECASP3MAPTALDH1A1
SCHEMBL7323368 0.83 ADORA3 (0.38) MDM2CASP3MAPTALDH1A1KMT2A
SCHEMBL7333749 0.83 MDM2 (0.36) MDM2HDAC1HDAC6HDAC3HDAC4
SCHEMBL7332372 0.83 HDAC1 (0.39) MDM2HDAC1HDAC6HDAC3HDAC4

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