SCHEMBL7985627

SCHEMBL7985627

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc(NS(=O)(=O)c3ccccc3)cc1)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
PTPRB P23467 3/20 0.41
KMT2A Q03164 2/20 0.41
P2RX7 Q99572 7/20 0.41
BCL2 P10415 1/20 0.40
PABPC1 P11940 1/20 0.39
MAPK1 P28482 1/20 0.39
HCRTR2 O43614 2/20 0.38

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
SCHEMBL7992607 0.93 ADORA1 (0.46) ADORA1PTPRBKMT2AP2RX7PABPC1
SCHEMBL7975784 0.91 ADORA1 (0.53) ADORA1PTPRBKMT2AP2RX7PABPC1
SCHEMBL7985657 0.91 ADORA1 (0.50) ADORA1PTPRBKMT2AP2RX7PABPC1
SCHEMBL7975386 0.88 ADORA1 (0.53) ADORA1KMT2APABPC1MAPK1HCRTR2
SCHEMBL7989016 0.88 ADORA1 (0.54) ADORA1KMT2AP2RX7PABPC1MAPK1
SCHEMBL7986391 0.88 ADORA1 (0.47) ADORA1PTPRBKMT2AP2RX7PABPC1
SCHEMBL7992666 0.86 ADORA1 (0.56) ADORA1PTPRBKMT2AP2RX7MAPK1
SCHEMBL7986071 0.86 ADORA1 (0.52) ADORA1PTPRBKMT2AP2RX7PABPC1
SCHEMBL7986565 0.86 ADORA1 (0.55) ADORA1KMT2AP2RX7BCL2
SCHEMBL7989414 0.86 ITGB3 (0.47) ADORA1KMT2AHCRTR2

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