SCHEMBL8714829

SCHEMBL8714829

COc1ccc(CCC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
ITGB3 P05106 4/20 0.58
ITGA2B P08514 4/20 0.58
KMT2A Q03164 2/20 0.58
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
CA2 P00918 1/20 0.53
FPR2 P25090 1/20 0.52
POLB P06746 1/20 0.50
LDHA P00338 1/20 0.50
F2RL1 P55085 1/20 0.49

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
SCHEMBL8903924 1.00 ALDH1A1 (0.60) ALDH1A1ITGB3ITGA2BKMT2AHDAC3
SCHEMBL16772293 0.87 ALDH1A1 (0.59) ALDH1A1ITGB3ITGA2BKMT2AHDAC3
SCHEMBL8904772 0.84 ALDH1A1 (0.59) ALDH1A1ITGB3ITGA2BKMT2AHDAC3
SCHEMBL8718686 0.84 ALDH1A1 (0.59) ALDH1A1ITGB3ITGA2BKMT2AHDAC3
SCHEMBL13528704 0.84 ALDH1A1 (0.55) ALDH1A1ITGB3ITGA2BKMT2AHDAC3
SCHEMBL18228779 0.83 KMT2A (0.56) ALDH1A1ITGB3ITGA2BKMT2AHDAC3
SCHEMBL21959687 0.83 KMT2A (0.56) ALDH1A1ITGB3ITGA2BKMT2AHDAC3
SCHEMBL12021300 0.83 ALDH1A1 (0.54) ALDH1A1ITGB3ITGA2BKMT2AHDAC3
SCHEMBL10659243 0.82 CA2 (0.74) ITGB3ITGA2BKMT2ACA2FPR2
SCHEMBL10659254 0.82 CA2 (0.74) ITGB3ITGA2BKMT2ACA2FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed