SCHEMBL29398258

SCHEMBL29398258

C1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.51
ACE P12821 1/20 0.47
PTPN1 P18031 1/20 0.46
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
ITGB1 P05556 2/20 0.44
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
CACNA1B Q00975 1/20 0.44
CTSL P07711 1/20 0.43
MAPK1 P28482 1/20 0.43
PPARA Q07869 3/20 0.43
PPARG P37231 2/20 0.43
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
CTSB P07858 1/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 1/20 0.41
ALB P02768 1/20 0.41
IL2 P60568 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
SCHEMBL15109777 1.00 CA2 (0.51) CA2ACEPTPN1ITGB3ITGA2B
SCHEMBL27979465 1.00 CA2 (0.51) CA2ACEPTPN1ITGB3ITGA2B
SCHEMBL7666029 0.91 ACE (0.49) CA2ACEPTPN1ITGB3ITGA2B
SCHEMBL7850273 0.89 CA2 (0.61) CA2ACEPTPN1ITGB3ITGA2B
SCHEMBL6898394 0.89 CA2 (0.61) CA2ACEPTPN1ITGB3ITGA2B
SCHEMBL15109826 0.89 CA2 (0.61) CA2ACEPTPN1ITGB3ITGA2B
SCHEMBL11512962 0.84 ACE (0.62) ACEITGB3ITGA2BCTSLMAPK1
SCHEMBL11374461 0.84 ACE (0.62) ACEITGB3ITGA2BCTSLMAPK1
SCHEMBL14249722 0.83 ACE (0.51) ACEITGB3ITGA2BITGA4ITGB7
SCHEMBL28089925 0.83 ACE (0.51) ACEITGB3ITGA2BITGA4ITGB7

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-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed