SCHEMBL1229751

SCHEMBL1229751

CC(N)C(=O)NC(Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.59
ICAM1 P05362 3/20 0.59
ITGAL P20701 3/20 0.59
CYP3A4 P08684 1/20 0.58
SLC7A5 Q01650 1/20 0.58
SLC15A2 Q16348 1/20 0.57
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
SLC6A5 Q9Y345 1/20 0.53
HRH4 Q9H3N8 3/20 0.53
HRH3 Q9Y5N1 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
GLA P06280 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.53
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
LMNA P02545 1/20 0.51
APEX1 P27695 1/20 0.51

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
SCHEMBL1161012 1.00 ITGB2 (0.59) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL308989 1.00 ITGB2 (0.59) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL27469252 0.99 ITGB2 (0.58) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL29368268 0.93 SLC15A2 (0.53) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL28042599 0.90 REN (0.61) ITGB2ICAM1ITGALSLC15A2REN
SCHEMBL21828615 0.90 ITGB2 (0.57) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL27638943 0.90 ITGB2 (0.57) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL29387033 0.88 SLC6A5 (0.55) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL21828671 0.88 CYP3A4 (0.68) ITGB2ICAM1ITGALCYP3A4SLC7A5
SCHEMBL21828702 0.87 CYP3A4 (0.57) ITGB2ICAM1ITGALCYP3A4SLC7A5

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 15 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-20240307428-A1 SYNERGISTIC COMPOSITION FOR MAINTENANCE OF HEALTHY BALANCE OF MICROFLORA KIMBERLY-CLARK WORLDWIDE, INC. (US) 2024-09-19 US disclosed
US-12029748-B2 Synergistic composition for maintenance of healthy balance of microflora KIMBERLY-CLARK WORLDWIDE, INC. (US) 2024-07-09 US disclosed
WO-2018160158-A1 SYNERGISTIC COMPOSITION FOR MAINTENANCE OF HEALTHY BALANCE OF MICROFLORA KIMBERLY-CLARK WORLDWIDE, INC. (US) 2018-09-07 WO disclosed
US-7881871-B2 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2011-02-01 US disclosed
US-20100323975-A1 THERAPEUTIC AGENT FOR CEREBRAL ISCHEMIC INJURY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2010-12-23 US disclosed
EP-2228068-A1 THERAPEUTIC AGENT FOR CEREBRAL ISCHEMIC INJURY Otsuka Pharmaceutical Factory, Inc. (JP) 2010-09-15 EP 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
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