SCHEMBL4628123

SCHEMBL4628123

CC(CO)NC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.43
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.39
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.37
EPHX2 P34913 2/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MMP2 P08253 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL7786057 1.00 EPHX1 (0.43) EPHX1KDM4EATMGAAL3MBTL1
SCHEMBL1168484 1.00 EPHX1 (0.43) EPHX1KDM4EATMGAAL3MBTL1
Hydrochloric Acid SCHEMBL18554671 0.98 EPHX1 (0.42) EPHX1KDM4EATMGAAL3MBTL1
SCHEMBL9950713 0.98 EPHX1 (0.40) EPHX1KDM4EATMGAAL3MBTL1
SCHEMBL17743405 0.93
SCHEMBL31491232 0.88
SCHEMBL15592922 0.84 KMT2A (0.35) EPHX1KDM4EATMGAAHTT
SCHEMBL15188477 0.80 SLC6A4 (0.36) EPHX1ALDH1A1
SCHEMBL17046219 0.80 EPHX1 (0.50) EPHX1KDM4EATMGAAL3MBTL1
SCHEMBL25476883 0.79 EPHX1 (0.40) EPHX1KDM4EATMGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635018-A1 4-(1H-2-METHYLIMIDAZO 4,5-c]PYRIDINYLMETHYL)PHENYLSULPHONAMIDE DERIVATIVES AS ANTAGONISTS OF PAF BRITISH BIO-TECHNOLOGY LIMITED (GB) 1995-01-25 EP claimed
WO-1991007430-A1 PEPTIDES CONTAINING CYCLIC TRIPEPTIDES THE UPJOHN COMPANY (US) 1991-05-30 WO claimed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP disclosed
EP-1917073-A1 COMPOSITION FOR DEPILATION Tex-A-Tec AG (CH) 2008-05-07 EP disclosed
WO-2006136441-A1 COMPOSITION FOR DEPILATION TEX-A-TEC AG (CH) 2006-12-28 WO disclosed
US-5214129-A Amidation of a protected amino acid by an di-O-protected dihydroxy-containing amine and coupling with a carboxylic acid; deprotecting; renin inhibitors; hypotensive agents ABBOTT LABORATORIES (US) 1993-05-25 US disclosed
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 US disclosed
WO-1991007430-A1 PEPTIDES CONTAINING CYCLIC TRIPEPTIDES THE UPJOHN COMPANY (US) 1991-05-30 WO disclosed
US-4870183-A RENIN INHIBITORS, HYPOTENSIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0252727-A1 Novel amino acid derivatives Kissei Pharmaceutical Co. Ltd. (JP) 1988-01-13 EP disclosed
EP-0184855-A2 Resin inhibiting compounds ABBOTT LABORATORIES (US) 1986-06-18 EP disclosed