SCHEMBL7989016

SCHEMBL7989016

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc(NC(=O)OCc3ccccc3)cc1)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.54
P2RX7 Q99572 8/20 0.44
PABPC1 P11940 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.40
HCRTR2 O43614 2/20 0.40
HDAC8 Q9BY41 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL7975386 0.91 ADORA1 (0.53) ADORA1PABPC1KMT2AMAPK1HCRTR2
SCHEMBL7986565 0.90 ADORA1 (0.55) ADORA1P2RX7KMT2A
SCHEMBL7975784 0.89 ADORA1 (0.53) ADORA1P2RX7PABPC1KMT2AMAPK1
SCHEMBL7985627 0.88 ADORA1 (0.52) ADORA1P2RX7PABPC1KMT2AMAPK1
SCHEMBL7975775 0.87 ADORA1 (0.43) ADORA1P2RX7KMT2AHCRTR2
SCHEMBL7985657 0.87 ADORA1 (0.50) ADORA1P2RX7PABPC1KMT2AMAPK1
SCHEMBL7992666 0.86 ADORA1 (0.56) ADORA1P2RX7KMT2AMAPK1HCRTR2
SCHEMBL7986071 0.86 ADORA1 (0.52) ADORA1P2RX7PABPC1KMT2AMAPK1
SCHEMBL7975494 0.85 ADORA1 (0.56) ADORA1PABPC1KMT2AMAPK1HCRTR2
SCHEMBL7986065 0.85 ADORA1 (0.51) ADORA1P2RX7PABPC1KMT2AMAPK1

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