SCHEMBL7985504

SCHEMBL7985504

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ADORA1 P30542 2/20 0.47
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 6/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
P2RX7 Q99572 2/20 0.33
GAA P10253 2/20 0.33
ATM Q13315 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7986790 0.88 ITGB3 (0.44) ITGB3ITGA2BADORA1
SCHEMBL7988313 0.85 ITGB3 (0.59) ITGB3ITGA2BADORA1KMT2ASMN1; SMN2
SCHEMBL7975307 0.80 ITGB3 (0.58) ITGB3ITGA2BADORA1KMT2AALDH1A1
SCHEMBL7985979 0.80 ITGB3 (0.51) ITGB3ITGA2BADORA1
SCHEMBL7976869 0.79 ITGB3 (0.66) ITGB3ITGA2BADORA1KMT2ALMNA
SCHEMBL7986273 0.78 ITGB3 (0.52) ITGB3ITGA2BADORA1KMT2ASMN1; SMN2
SCHEMBL7962201 0.76 ITGB3 (0.83) ITGB3ITGA2BKMT2ASMN1; SMN2RAB9A
SCHEMBL7992590 0.76 ITGB3 (0.66) ITGB3ITGA2BKMT2ASMN1; SMN2RAB9A
SCHEMBL7987424 0.75 ITGB3 (0.73) ITGB3ITGA2BALDH1A1GAATSHR
SCHEMBL7989161 0.75 ITGB3 (0.70) ITGB3ITGA2BKMT2ASMN1; SMN2RAB9A

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