SCHEMBL28286258

SCHEMBL28286258

COC(=O)[C@@H]1CCCN1C(=O)C(CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.53
CTSS P25774 2/20 0.53
KLK5 Q9Y337 1/20 0.48
PEPD P12955 2/20 0.44
FKBP1A P62942 5/20 0.44
ACE P12821 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
XPNPEP1 Q9NQW7 1/20 0.42
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSH P09668 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ITGB3 P05106 2/20 0.39

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
SCHEMBL21536111 1.00 CTSK (0.53) CTSKCTSSKLK5PEPDFKBP1A
SCHEMBL19744673 0.90 CTSS (0.56) CTSKCTSSPEPDACELMNA
SCHEMBL19744672 0.90 CTSS (0.56) CTSKCTSSPEPDACELMNA
SCHEMBL28186217 0.86 KLK5 (0.52) KLK5PEPDFKBP1AACELMNA
SCHEMBL30193081 0.86 KLK5 (0.52) KLK5PEPDFKBP1AACEXPNPEP1
SCHEMBL21506053 0.84 CTSS (0.50) CTSKCTSSKLK5AAK1HDAC4
SCHEMBL8365033 0.84 CTSL (0.54) CTSKCTSSKLK5FKBP1AACE
SCHEMBL7144197 0.84 CTSL (0.54) CTSKCTSSKLK5FKBP1AACE
SCHEMBL18630366 0.83 KLK5 (0.49) KLK5PEPDFKBP1AACEXPNPEP1
SCHEMBL21119405 0.83 CTSS (0.47) CTSKCTSSKLK5AAK1HDAC4

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 2 patents. 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
CN-109563033-A Aliphatic Prolinamide derivatives 奥瑞恩眼科有限责任公司 2019-04-02 CN disclosed