SCHEMBL4412289

SCHEMBL4412289

CCC(=O)Nc1ccc(NC(=O)CC)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 4/20 0.46
ATM Q13315 2/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
CCR6 P51684 1/20 0.45
MCL1 Q07820 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TSHR P16473 2/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
NR4A1 P22736 1/20 0.44
KMT2A Q03164 4/20 0.43

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
SCHEMBL21765901 0.92 CYP3A4 (0.43) CYP3A4ALDH1A1KDM4EHPGDMAPT
SCHEMBL21765866 0.77 JAK3 (0.35) ALDH1A1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL4413676 0.75 MAPT (0.44) CYP3A4ALDH1A1KDM4EHPGDMAPT
SCHEMBL2661353 0.74 PKM (0.67) CYP3A4ALDH1A1KDM4EMAPTLMNA
SCHEMBL9954231 0.74 HRH2 (0.43) CYP3A4ALDH1A1KDM4EHPGDMAPT
SCHEMBL4412558 0.73 SMN1; SMN2 (0.46) CYP3A4ALDH1A1KDM4EHPGDMAPT
SCHEMBL13989319 0.73 GAA (0.73) CYP3A4ALDH1A1KDM4EHPGDMAPT
SCHEMBL4410319 0.73 DRD2 (0.49) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL34461886 0.73 DRD2 (0.49) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL8619629 0.70 MAPK1 (0.60) ALDH1A1KDM4EHPGDMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020041270-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF FOG PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed
US-7605215-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-20 US disclosed
US-20080227937-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-18 US disclosed