SCHEMBL29442964

SCHEMBL29442964

COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.59
GRB2 P62993 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47

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
Hydrochloric Acid SCHEMBL30232005 0.99 PTPN1 (0.58) PTPN1GRB2CTSLCTSBCTSS
SCHEMBL15697341 0.90 CTSB (0.49) PTPN1CTSLCTSBCTSS
SCHEMBL30261676 0.87 PTPN1 (0.53) PTPN1
SCHEMBL29531966 0.87 PTPN1 (0.53) PTPN1
Hydrochloric Acid SCHEMBL29601405 0.86 PTPN1 (0.53) PTPN1
SCHEMBL6020869 0.85 CTSB (0.55) PTPN1CTSLCTSBCTSSMMP9
SCHEMBL9449475 0.84 PTPN1 (0.50) PTPN1
SCHEMBL17525280 0.84 PTPN1 (0.50) PTPN1
SCHEMBL16171879 0.84 PTPN1 (0.46) PTPN1CTSLCTSBCTSS
SCHEMBL799706 0.83 MDM4 (0.52) PTPN1CTSLCTSBCTSS

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-114181285-A Method for synthesizing nafarelin by solid-liquid method 湖南三太药业有限公司 2022-03-15 CN claimed
CN-114181285-A Method for synthesizing nafarelin by solid-liquid method 湖南三太药业有限公司 2022-03-15 CN disclosed