SCHEMBL9561794

SCHEMBL9561794

COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](N)C(=O)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
KLK5 Q9Y337 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MDM4 O15151 1/20 0.50
MDM2 Q00987 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX15 P16050 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL8589015 0.91 ACE (0.51)
SCHEMBL8603937 0.86 ATM (0.59) ATMKLK5ALDH1A1MDM4MDM2
SCHEMBL8603938 0.86 ATM (0.59) ATMKLK5ALDH1A1MDM4MDM2
SCHEMBL9301967 0.85 ATM (0.58) ATMKLK5ALDH1A1MDM4MDM2
SCHEMBL6549557 0.85 ATM (0.58) ATMKLK5ALDH1A1MDM4MDM2
SCHEMBL8603038 0.85 ATM (0.58) ATMKLK5ALDH1A1MDM4MDM2
SCHEMBL11406714 0.85 ATM (0.58) ATMKLK5ALDH1A1MDM4MDM2
Hydrochloric Acid SCHEMBL10412319 0.85 ATM (0.58) ATMKLK5ALDH1A1MDM4MDM2
Hydrochloric Acid SCHEMBL9492789 0.84 ATM (0.56) ATMKLK5ALDH1A1MDM4MDM2
SCHEMBL11280295 0.83 CASP1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569462-A1 PROCESS FOR SEPARATION OF TWO SOLID COMPONENTS NOVO NORDISK A/S (DK) 1993-11-18 EP disclosed
WO-1992012782-A1 PROCESS FOR SEPARATION OF TWO SOLID COMPONENTS NOVO NORDISK A/S (DK) 1992-08-06 WO disclosed
US-5015387-A Activating a cellulose membrane by reacting with a chlorocarbonyl compound or a chlorosulfonyl compound FUJI PHOTO FILM CO., LTD. (JP) 1991-05-14 US disclosed
EP-0334236-A2 Preparation of n-protected alpha-l-aspartyl-l-phenylalanine methyl ester MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-27 EP disclosed