SCHEMBL7989383

SCHEMBL7989383

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)COC1CCNCC1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.54
ITGA2B P08514 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
RAB9A P51151 1/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HCRTR2 O43614 2/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
P2RY12 Q9H244 1/20 0.32
P2RX7 Q99572 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 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
Trifluoroacetic Acid SCHEMBL7989461 0.96 ITGB3 (0.53) ITGB3ITGA2BSMN1; SMN2ALDH1A1ATM
SCHEMBL7986273 0.89 ITGB3 (0.52) ITGB3ITGA2BSMN1; SMN2ALDH1A1ATM
Hydrochloric Acid SCHEMBL7986192 0.82 ITGB3 (0.39) ITGB3ITGA2BALDH1A1GAAHCRTR2
SCHEMBL7988313 0.82 ITGB3 (0.59) ITGB3ITGA2BSMN1; SMN2RAB9AKMT2A
SCHEMBL7988493 0.81 ITGB3 (0.66) ITGB3ITGA2BHCRTR2KMT2ALMNA
SCHEMBL7962201 0.80 ITGB3 (0.83) ITGB3ITGA2BSMN1; SMN2RAB9AHCRTR2
SCHEMBL7988230 0.80 ITGB3 (0.58) ITGB3ITGA2BSMN1; SMN2RAB9AHCRTR2
SCHEMBL7989161 0.80 ITGB3 (0.70) ITGB3ITGA2BSMN1; SMN2RAB9AHCRTR2
Hydrochloric Acid SCHEMBL7986123 0.80 ITGB3 (0.82) ITGB3ITGA2BSMN1; SMN2RAB9AHCRTR2
SCHEMBL7974918 0.79 ITGB3 (0.55) ITGB3ITGA2BSMN1; SMN2ALDH1A1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US claimed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP claimed
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