SCHEMBL7994609

SCHEMBL7994609

CCOC(=O)Cn1cc2c(c1)CN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(C(=NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1)CC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
ADORA1 P30542 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
HCRTR2 O43614 5/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
HCRTR1 O43613 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8131164 0.93 ITGB3 (0.45) ITGB3ITGA2BADORA1LMNARAB9A
SCHEMBL7989036 0.86 ADORA1 (0.35) ITGB3ITGA2BITGA4ITGB7ADORA1
SCHEMBL8156014 0.86 ITGB3 (0.38) ITGB3ITGA2BITGA4ITGB7ADORA1
SCHEMBL7993666 0.85 ITGB3 (0.37) ITGB3ITGA2BITGA4ITGB7ADORA1
SCHEMBL7993159 0.83 ITGB3 (0.57) ITGB3ITGA2BITGA4ITGB7PPARG
SCHEMBL7987826 0.83 ITGB3 (0.48) ITGB3ITGA2BITGA4ITGB7
SCHEMBL7987698 0.83 ITGB3 (0.49) ITGB3ITGA2BITGA4ITGB7
SCHEMBL7994742 0.82 ITGA4 (0.36) ITGB3ITGA2BITGA4ITGB7ADORA1
SCHEMBL7975307 0.82 ITGB3 (0.58) ITGB3ITGA2BADORA1LMNAHCRTR2
SCHEMBL7975256 0.81 ITGB3 (0.44) ITGB3ITGA2BADORA1LMNARAB9A

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