SCHEMBL4582904

SCHEMBL4582904

CC(C)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
ECE1 P42892 2/20 0.53
CYP3A4 P08684 2/20 0.53
MME P08473 1/20 0.53
ALDH1A1 P00352 2/20 0.52
ELANE P08246 1/20 0.51
PRTN3 P24158 1/20 0.51
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
CASP1 P29466 1/20 0.50
CASP3 P42574 1/20 0.50
CASP7 P55210 1/20 0.50
CASP9 P55211 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 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
SCHEMBL4582911 1.00 MAPK1 (0.53) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL919245 1.00 MAPK1 (0.53) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL9556695 0.97 MAPK1 (0.51) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL30134450 0.95 ECE1 (0.54) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL9829175 0.92 ECE1 (0.53) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL9829163 0.92 ECE1 (0.53) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL23086205 0.89 MEN1 (0.60) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL23086208 0.89 MEN1 (0.60) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL23086206 0.89 MEN1 (0.60) MAPK1ECE1CYP3A4MMEALDH1A1
SCHEMBL10175007 0.89 CTSL (0.55) MAPK1ECE1CYP3A4MMEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024083220-A1 LIGAND-OLIGONUCLEOTIDE CONJUGATE AND LINKER FOR CONJUGATE 上海京新生物医药有限公司 2024-04-25 WO disclosed
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-0755374-B1 PROCESS FOR PEPTIDE SEGMENT CONDENSATION MERCK & CO INC (US) 2000-08-16 EP disclosed
EP-0755374-A4 PROCESS FOR PEPTIDE SEGMENT CONDENSATION MERCK & CO INC (US) 1998-09-16 EP disclosed
US-5773575-A REACTING A CARBOXYLIC ACID AND AMINE WITH COUPLING AGENT MERCK & CO., INC. (US) 1998-06-30 US disclosed
EP-0755374-A1 PROCESS FOR PEPTIDE SEGMENT CONDENSATION Merck & Co., Inc. (a New Jersey corp.) (US) 1997-01-29 EP disclosed
US-5502165-A AMIDATION OF CARBOXY COMPOOUND WITH AMINE IN WATER AND SOLVENT MERCK & CO., INC. (US) 1996-03-26 US disclosed
WO-1995027727-A2 PROCESS FOR PEPTIDE SEGMENT CONDENSATION MERCK & CO., INC. (US) 1995-10-19 WO disclosed