SCHEMBL27944725

SCHEMBL27944725

CC(C)(C)OC(=O)CCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.57
▸ ITGB2 P05107 3/20 0.52
▸ ICAM1 P05362 3/20 0.52
▸ ITGAL P20701 3/20 0.52
▸ EPHX2 P34913 1/20 0.50
▸ CYP3A4 P08684 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ SLC15A2 Q16348 1/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ ACE P12821 1/20 0.46
▸ SLC7A5 Q01650 1/20 0.44
▸ AGTR2 P50052 1/20 0.43
▸ REN P00797 2/20 0.42
▸ CPB2 Q96IY4 1/20 0.42
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41

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
SCHEMBL28778341 0.90 SLC6A5 (0.46) SLC6A5ITGB2ICAM1ITGALEPHX2
SCHEMBL1133307 0.84 ITGB2 (0.57) SLC6A5ITGB2ICAM1ITGALCYP3A4
SCHEMBL14028689 0.84 ITGB2 (0.57) SLC6A5ITGB2ICAM1ITGALCYP3A4
SCHEMBL1132649 0.84 ITGB2 (0.57) SLC6A5ITGB2ICAM1ITGALCYP3A4
SCHEMBL28684251 0.83 ITGB2 (0.56) SLC6A5ITGB2ICAM1ITGALCYP3A4
SCHEMBL19051473 0.83 SLC6A5 (0.63) SLC6A5ITGB2ICAM1ITGALEPHX2
SCHEMBL14032422 0.82 SLC6A5 (0.71) SLC6A5ITGB2ICAM1ITGALEPHX2
SCHEMBL21089952 0.81 SLC6A5 (0.59) SLC6A5ITGB2ICAM1ITGALEPHX2
SCHEMBL21090525 0.81 SLC6A5 (0.59) SLC6A5ITGB2ICAM1ITGALEPHX2
SCHEMBL29071832 0.80 SLC6A5 (0.63) SLC6A5ITGB2ICAM1ITGALEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436970-A Method for preparing L-carnosine acetate 江苏金斯瑞生物科技有限公司 2022-05-06 — — CN claimed
CN-114436970-A Method for preparing L-carnosine acetate 江苏金斯瑞生物科技有限公司 2022-05-06 — — CN disclosed
CN-114436970-A Method for preparing L-carnosine acetate 江苏金斯瑞生物科技有限公司 2022-05-06 — — CN disclosed
CN-103408497-A L-carnosine preparation method ZHANGJIAGANG WEISHENG BIOLOG PHARMACEUTICAL CO LTD 2013-11-27 — — CN disclosed
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