SCHEMBL13170299

SCHEMBL13170299

CC(C)(C)OC(=O)NC(Cc1ccc2c(c1)Cc1cc(CNC3=NCCN3)ccc1-2)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.46
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
PTPN1 P18031 3/20 0.41
WDR5 P61964 6/20 0.41
MME P08473 1/20 0.40
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ITGAV P06756 2/20 0.38
ITGB1 P05556 1/20 0.38
ITGB5 P18084 1/20 0.38
MAPK1 P28482 1/20 0.38
ITGB6 P18564 1/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL7540177 0.82 ITGAV (0.43) ACEITGB3ITGA2BMMEITGAV
SCHEMBL11032508 0.80 ACE (0.60) ACEITGB3ITGA2BPTPN1MME
SCHEMBL8657006 0.80 ACE (0.60) ACEITGB3ITGA2BPTPN1MME
SCHEMBL9743083 0.74 ACE (0.57) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL9743071 0.74 ACE (0.57) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL30171991 0.73 CXCR4 (0.45) ITGB3ITGA2BCTSKITGAVITGB6
SCHEMBL5777591 0.73 ACE (0.50) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL1920768 0.72 ACE (0.54) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL14598327 0.71 CTSS (0.56) PTPN1CTSBCTSSCTSK
SCHEMBL478774 0.71 ACE (0.62) ACEITGB3ITGA2BPTPN1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803399-B2 Delivery system for nucleic acids THE SCRIPPS RESEARCH INSTITUTE (US) 2010-09-28 US disclosed