SCHEMBL28979548

SCHEMBL28979548

COC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)C(CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.53
ANPEP P15144 2/20 0.53
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
AAK1 Q2M2I8 2/20 0.38
HTRA1 Q92743 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CACNA1B Q00975 1/20 0.35
REN P00797 1/20 0.34
KLK5 Q9Y337 1/20 0.34
ITGB3 P05106 6/20 0.33
ITGA2B P08514 6/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL29458800 1.00 MMP2 (0.53) MMP2ANPEPCTSSCTSKAAK1
SCHEMBL29398426 1.00 MMP2 (0.53) MMP2ANPEPCTSSCTSKAAK1
SCHEMBL21119318 1.00 MMP2 (0.53) MMP2ANPEPCTSSCTSKAAK1
SCHEMBL19745166 0.92 CTSS (0.48) MMP2ANPEPCTSSCTSKAAK1
SCHEMBL21536101 0.92 CTSS (0.48) MMP2ANPEPCTSSCTSKAAK1
SCHEMBL19744563 0.92 CTSS (0.48) MMP2ANPEPCTSSCTSKAAK1
SCHEMBL19744560 0.92 CTSS (0.48) MMP2ANPEPCTSSCTSKAAK1
SCHEMBL19745167 0.92 CTSS (0.48) MMP2ANPEPCTSSCTSKAAK1
SCHEMBL21536102 0.86 MMP2 (0.57) MMP2ANPEPCTSKHTRA1
SCHEMBL21506053 0.84 CTSS (0.50) CTSSCTSKAAK1HTRA1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563033-B Aliphatic prolinamide derivatives 奥瑞恩眼科有限责任公司 2023-04-04 CN disclosed