SCHEMBL21048720

SCHEMBL21048720

C=C(C)C(=O)N[C@@H](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
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
SLC6A5 Q9Y345 1/20 0.53
CYP3A4 P08684 2/20 0.51
SLC7A5 Q01650 1/20 0.51
TGFBR1 P36897 1/20 0.49
SLC15A2 Q16348 1/20 0.48
ALOX5 P09917 1/20 0.47
PTGS2 P35354 1/20 0.47
EPHX2 P34913 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
AGTR2 P50052 1/20 0.46
GGT1 P19440 1/20 0.45
CPB2 Q96IY4 1/20 0.45
QPCT Q16769 1/20 0.43

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
SCHEMBL28614792 0.87 ALOX5 (0.48) ITGB2ICAM1ITGALSLC6A5CYP3A4
SCHEMBL24106817 0.87 ALOX5 (0.48) ITGB2ICAM1ITGALSLC6A5CYP3A4
SCHEMBL15683044 0.86 ITGB2 (0.64) ITGB2ICAM1ITGALCA1CA2
SCHEMBL468830 0.86 ITGB2 (0.64) ITGB2ICAM1ITGALCA1CA2
SCHEMBL6026427 0.86 ITGB2 (0.64) ITGB2ICAM1ITGALCA1CA2
Water SCHEMBL8680774 0.85 ITGB2 (0.63) ITGB2ICAM1ITGALCA1CA2
SCHEMBL27413426 0.83 ITGB2 (0.67) ITGB2ICAM1ITGALCA1CA2
SCHEMBL18676312 0.81 ITGB2 (0.65) ITGB2ICAM1ITGALCA1CA2
SCHEMBL4182511 0.81 SLC6A5 (0.64) ITGB2ICAM1ITGALCA1CA2
SCHEMBL6806998 0.81 ITGB2 (0.62) ITGB2ICAM1ITGALCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106582567-B The preparation method and applications of organic Arsiness magnetic molecularly imprinted polymer 河南科技大学 2019-07-26 CN claimed
CN-107271410-B Method for rapidly detecting activity of bacteria or fungi 武汉汉瑞隆德检测技术有限公司 2020-04-14 CN disclosed
CN-107132206-B Rapid detection method for virus activity 武汉汉瑞隆德检测技术有限公司 2020-02-07 CN disclosed
EP-2935376-B1 IMPRINTED POLYMER AND METHOD FOR PREPARING SAME UNIV DE TOULON (FR) 2019-06-12 EP disclosed
CN-103172513-B Uranyl ion imprinted polymer and preparation method and application thereof UNIV BEIJING 2015-06-17 CN disclosed
CN-103172513-A Uranyl ion imprinted polymer and preparation method and application thereof UNIV BEIJING 2013-06-26 CN disclosed