SCHEMBL17860113

SCHEMBL17860113

CN[C@H](CNC(=O)CCN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.45
▸ TLR2 O60603 2/20 0.39
▸ MMP9 P14780 3/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASR P41180 1/20 0.34
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ ASAH1 Q13510 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GABRR1 P24046 2/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ SLC6A5 Q9Y345 1/20 0.32
▸ GGT1 P19440 1/20 0.32

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
SCHEMBL18738980 0.83 CASP2 (0.41) HPGDCASRASAH1MAPT
SCHEMBL19401581 0.82 MMP2 (0.43) MMP2TLR2MMP9MMP8MMP12
SCHEMBL17860257 0.79 MEN1 (0.41) CASRMAPT
SCHEMBL22134430 0.76 MAPT (0.41) HPGDCASRMAPT
SCHEMBL1768636 0.75 MMP2 (0.53) MMP2CASRSLC1A2SLC1A1
SCHEMBL1768641 0.75 MMP2 (0.53) MMP2CASRSLC1A2SLC1A1
SCHEMBL25356490 0.74 MAPT (0.37) CASRFOLH1MAPT
SCHEMBL25356475 0.74 MAPT (0.37) CASRFOLH1MAPT
SCHEMBL19953940 0.74 HPGD (0.51) MMP2TLR2MMP8HPGDMAPT
SCHEMBL25356963 0.74 MAPT (0.43) CASRFOLH1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3432934-B1 PRODRUGS OF CYTOTOXIC AGENTS WITH ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma AG (DE) 2022-02-23 — — EP disclosed
WO-2017162663-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 — — WO disclosed
WO-2016096610-A1 ANTIBODY-DRUG CONJUGATES (ADCS) OF KSP INHIBITORS WITH AGLYCOSYLATED ANTI-TWEAKR ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 — — WO disclosed
Send feedback