SCHEMBL7988292

SCHEMBL7988292

Cc1c(CC(=O)O)sc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.49
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ESR2 Q92731 1/20 0.39
P2RX3 P56373 6/20 0.39
NR1H2 P55055 1/20 0.39
PTGER4 P35408 1/20 0.38
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
MKNK1 Q9BUB5 4/20 0.36
PRKCI P41743 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
SCHEMBL7989249 0.86 MAPT (0.46) ADORA1KDM4EMAPT
SCHEMBL7989573 0.85 ADORA1 (0.47) ADORA1KDM4EMAPTESR2P2RX3
SCHEMBL7992474 0.84 ADORA1 (0.46) ADORA1KDM4EMAPTESR2P2RX3
SCHEMBL6424372 0.83 ADORA1 (0.53) ADORA1KDM4EMAPTESR2P2RX3
SCHEMBL6425010 0.81 ADORA1 (0.55) ADORA1KDM4EMAPTESR2P2RX3
SCHEMBL17377126 0.76 ADORA1 (0.51) ADORA1KDM4EMAPTESR2P2RX3
SCHEMBL7986737 0.74 MAPT (0.42) ADORA1KDM4EMAPT
SCHEMBL7992597 0.74 ESR2 (0.50) ADORA1KDM4EMAPTESR2P2RX3
SCHEMBL17377058 0.74 ADORA1 (0.51) ADORA1KDM4EMAPTESR2P2RX3
SCHEMBL4091052 0.73 ADORA1 (0.82) ADORA1KDM4EMAPTESR2P2RX3

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