SCHEMBL1230293

SCHEMBL1230293

NC(Cc1cnc[nH]1)C(=O)NC(CO)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.65
▸ SLC7A5 Q01650 1/20 0.65
▸ SLC15A2 Q16348 1/20 0.53
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ NLN Q9BYT8 2/20 0.50
▸ ITGB2 P05107 1/20 0.49
▸ ICAM1 P05362 1/20 0.49
▸ ITGAL P20701 1/20 0.49

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
SCHEMBL21828671 0.92 CYP3A4 (0.68) CYP3A4SLC7A5SLC15A2CA1CA2
SCHEMBL18862044 0.90 CYP3A4 (0.57) CYP3A4SLC7A5NLN
SCHEMBL29380221 0.90 CYP3A4 (0.65) CYP3A4SLC7A5SLC15A2CA1CA2
SCHEMBL21828631 0.88 CYP3A4 (0.63) CYP3A4SLC7A5SLC15A2CA1CA2
SCHEMBL31066556 0.88 CYP3A4 (0.63) CYP3A4SLC7A5SLC15A2CA1CA2
SCHEMBL27806348 0.86 CYP3A4 (0.60) CYP3A4SLC7A5SLC15A2ITGB2ICAM1
SCHEMBL29728766 0.86 CYP3A4 (0.60) CYP3A4SLC7A5SLC15A2ITGB2ICAM1
SCHEMBL27806351 0.86 CYP3A4 (0.60) CYP3A4SLC7A5SLC15A2CA1CA2
SCHEMBL29727567 0.85 CYP3A4 (0.59) CYP3A4SLC7A5SLC15A2CA1CA2
SCHEMBL30184773 0.85 AGTR2 (0.60) CYP3A4SLC7A5NLNITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7881871-B2 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2011-02-01 — — US claimed
EP-1700244-A4 A METHOD FOR DESIGNING SURFACES BIO LAYER PTY LTD (AU) 2009-07-08 — — EP claimed
US-20070099235-A1 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2007-05-03 — — US claimed
EP-1700244-A1 A METHOD FOR DESIGNING SURFACES Bio-Layer Pty Limited (AU) 2006-09-13 — — EP claimed
WO-2005057462-A1 A METHOD FOR DESIGNING SURFACES BIO-LAYER PTY LIMITED (AU) 2005-06-23 — — WO claimed
US-7881871-B2 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2011-02-01 — — US disclosed
US-7881871-B2 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2011-02-01 — — US disclosed
US-7881871-B2 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2011-02-01 — — US disclosed
EP-1700244-A4 A METHOD FOR DESIGNING SURFACES BIO LAYER PTY LTD (AU) 2009-07-08 — — EP disclosed
US-20070099235-A1 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2007-05-03 — — US disclosed
US-20070099235-A1 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2007-05-03 — — US disclosed
US-20070099235-A1 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2007-05-03 — — US disclosed
EP-1700244-A1 A METHOD FOR DESIGNING SURFACES Bio-Layer Pty Limited (AU) 2006-09-13 — — EP disclosed
WO-2005057462-A1 A METHOD FOR DESIGNING SURFACES BIO-LAYER PTY LIMITED (AU) 2005-06-23 — — WO disclosed
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