SCHEMBL7989573

SCHEMBL7989573

CC(C)(C)OC(=O)N1CCc2sc(CC(=O)O)c(C(F)(F)F)c2C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.47
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PTGER4 P35408 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
P2RX3 P56373 5/20 0.37
ESR2 Q92731 1/20 0.37
NR1H2 P55055 1/20 0.37
MKNK1 Q9BUB5 5/20 0.35
CYP8B1 Q9UNU6 1/20 0.34

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
SCHEMBL7986737 0.88 MAPT (0.42) ADORA1KDM4EMAPT
SCHEMBL7988292 0.85 ADORA1 (0.49) ADORA1KDM4EMAPTPTGER4P2RX3
SCHEMBL7992474 0.81 ADORA1 (0.46) ADORA1KDM4EMAPTPTGER4P2RX3
SCHEMBL6424372 0.73 ADORA1 (0.53) ADORA1KDM4EMAPTP2RX3ESR2
SCHEMBL7989249 0.72 MAPT (0.46) ADORA1KDM4EMAPT
SCHEMBL6425010 0.72 ADORA1 (0.55) ADORA1KDM4EMAPTP2RX3ESR2
SCHEMBL7992597 0.71 ESR2 (0.50) ADORA1KDM4EMAPTP2RX3ESR2
SCHEMBL17377126 0.71 ADORA1 (0.51) ADORA1KDM4EMAPTP2RX3ESR2
SCHEMBL17377058 0.71 ADORA1 (0.51) ADORA1KDM4EMAPTP2RX3ESR2
SCHEMBL4091052 0.71 ADORA1 (0.82) ADORA1KDM4EMAPTPTGER4P2RX3

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