SCHEMBL7986273

SCHEMBL7986273

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.52
ITGA2B P08514 3/20 0.52
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
YAP1 P46937 3/20 0.36
ADORA1 P30542 1/20 0.35
P2RX7 Q99572 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MCL1 Q07820 1/20 0.34
HPGDS O60760 1/20 0.33

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
SCHEMBL7989383 0.89 ITGB3 (0.54) ITGB3ITGA2BALDH1A1ATMSMN1; SMN2
Trifluoroacetic Acid SCHEMBL7989461 0.87 ITGB3 (0.53) ITGB3ITGA2BALDH1A1ATMSMN1; SMN2
SCHEMBL7988313 0.86 ITGB3 (0.59) ITGB3ITGA2BSMN1; SMN2ADORA1P2RX7
SCHEMBL7986612 0.84 ITGB3 (0.40) ITGB3ITGA2BALDH1A1YAP1ADORA1
SCHEMBL7976869 0.81 ITGB3 (0.66) ITGB3ITGA2BADORA1P2RX7KMT2A
SCHEMBL7962201 0.78 ITGB3 (0.83) ITGB3ITGA2BSMN1; SMN2P2RX7KMT2A
SCHEMBL7975307 0.78 ITGB3 (0.58) ITGB3ITGA2BALDH1A1ADORA1P2RX7
SCHEMBL7985504 0.78 ITGB3 (0.48) ITGB3ITGA2BALDH1A1ATMSMN1; SMN2
SCHEMBL7988493 0.77 ITGB3 (0.66) ITGB3ITGA2BKMT2ALMNA
SCHEMBL7989161 0.77 ITGB3 (0.70) ITGB3ITGA2BSMN1; SMN2P2RX7KMT2A

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