SCHEMBL9707016

SCHEMBL9707016

CC(C)(N)Cc1ccc(OC(=O)C(=O)Oc2ccc(CC(C)(C)N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
HRH1 P35367 1/20 0.50
HTR2B P41595 1/20 0.50
CHRNA4 P43681 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ELANE P08246 4/20 0.49
TAAR1 Q96RJ0 1/20 0.48
BLM P54132 2/20 0.43
GHSR Q92847 8/20 0.39
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EGFR P00533 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL5733364 0.87 LMNA (0.50) SLC6A2HTR2ASLC6A4HRH1HTR2B
Acetic Acid SCHEMBL28687879 0.79 SLC6A2 (0.50) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL6554130 0.78 POLB (0.66) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL8490964 0.77 SLC6A2 (0.46) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL5831376 0.77 SMN1; SMN2 (0.60) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL25596139 0.77 BLM (0.47) SLC6A2SLC6A3ELANEBLMKDM4E
Cadaverine Tartrate SCHEMBL20298290 0.77 LDHA (0.53) SLC6A2HTR2ASLC6A4HRH1HTR2B
Tartaric Acid SCHEMBL30628113 0.77 LDHA (0.53) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL183751 0.76 SLC6A2 (0.57) SLC6A2HTR2ASLC6A4HRH1HTR2B
Maleic Acid SCHEMBL21750113 0.76 ALDH1A1 (0.55) SLC6A2HTR2ASLC6A4HRH1HTR2B

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-0502498-A1 Phenoxyalkanoic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-09-09 EP disclosed
EP-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 EP disclosed
US-4866196-A ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1989-09-12 US disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed