SCHEMBL28979527

SCHEMBL28979527

COC(=O)[C@@H]1CCCN1C(=O)C(CC1CCCCC1)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 18/20 0.58
CTSL P07711 1/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
ACE P12821 1/20 0.49

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
SCHEMBL21536106 1.00 HTRA1 (0.58) HTRA1CTSLCTSSCTSKACE
SCHEMBL30335180 0.90 HTRA1 (0.59) HTRA1CTSLCTSSCTSK
SCHEMBL19745348 0.90 HTRA1 (0.59) HTRA1CTSLCTSSCTSK
SCHEMBL2687419 0.90 HTRA1 (0.59) HTRA1CTSLCTSSCTSK
SCHEMBL19745347 0.90 HTRA1 (0.59) HTRA1CTSLCTSSCTSK
SCHEMBL21506057 0.87 HTRA1 (0.62) HTRA1CTSLCTSSCTSK
SCHEMBL29750937 0.87 HTRA1 (0.62) HTRA1CTSLCTSSCTSK
SCHEMBL17859920 0.86 HTRA1 (0.75) HTRA1
SCHEMBL29399011 0.86 HTRA1 (0.75) HTRA1
SCHEMBL19744816 0.85 HTRA1 (0.67) HTRA1CTSLCTSSCTSK

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