SCHEMBL7992382

SCHEMBL7992382

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](C)NC(=O)c1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)C2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
ATM Q13315 1/20 0.35
ADORA1 P30542 3/20 0.35
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRAMD1A Q96CP6 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL7992378 1.00 ITGB3 (0.37) ITGB3ITGA2BATMADORA1PRMT5
SCHEMBL7986852 0.90 ADORA1 (0.46) ITGB3ITGA2BADORA1
SCHEMBL7986850 0.90 ADORA1 (0.46) ITGB3ITGA2BADORA1
SCHEMBL7986394 0.88 ADORA1 (0.40) ITGB3ITGA2BADORA1
SCHEMBL7989321 0.88 ADORA1 (0.40) ITGB3ITGA2BADORA1TDP1
SCHEMBL7974847 0.88 ADORA1 (0.39) ITGB3ITGA2BADORA1PRMT5WDR77
SCHEMBL7989124 0.87 ADORA1 (0.39) ITGB3ITGA2BADORA1
SCHEMBL7975424 0.86 ITGB3 (0.40) ITGB3ITGA2BADORA1PRMT5WDR77
SCHEMBL7989447 0.86 ADORA1 (0.38) ITGB3ITGA2BADORA1LMNA
SCHEMBL7975130 0.86 ADORA1 (0.42) ITGB3ITGA2BADORA1LMNATDP1

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed