SCHEMBL7985657

SCHEMBL7985657

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.50
PTPRB P23467 5/20 0.44
KMT2A Q03164 2/20 0.39
P2RX7 Q99572 2/20 0.37
HDAC8 Q9BY41 2/20 0.36
PABPC1 P11940 1/20 0.36
MAPK1 P28482 1/20 0.36
HCRTR2 O43614 2/20 0.36
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35

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
SCHEMBL7986391 0.91 ADORA1 (0.47) ADORA1PTPRBKMT2AP2RX7PABPC1
SCHEMBL7985627 0.91 ADORA1 (0.52) ADORA1PTPRBKMT2AP2RX7PABPC1
SCHEMBL7975784 0.90 ADORA1 (0.53) ADORA1PTPRBKMT2AP2RX7PABPC1
SCHEMBL7992607 0.90 ADORA1 (0.46) ADORA1PTPRBKMT2AP2RX7PABPC1
SCHEMBL7992666 0.90 ADORA1 (0.56) ADORA1PTPRBKMT2AP2RX7MAPK1
SCHEMBL7986071 0.90 ADORA1 (0.52) ADORA1PTPRBKMT2AP2RX7PABPC1
SCHEMBL7986065 0.88 ADORA1 (0.51) ADORA1PTPRBKMT2AP2RX7PABPC1
SCHEMBL7992050 0.88 ADORA1 (0.52) ADORA1PTPRBKMT2AMAPK1HCRTR2
SCHEMBL7975232 0.88 ADORA1 (0.51) ADORA1KMT2AP2RX7FPR1FPR2
SCHEMBL7975386 0.87 ADORA1 (0.53) ADORA1KMT2APABPC1MAPK1HCRTR2

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