SCHEMBL7804172

SCHEMBL7804172

CC(C)(C)OC(=O)NC(CCCOS(C)(=O)=O)OS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CTSK P43235 13/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSS P25774 2/20 0.35
CYP2D6 P10635 1/20 0.34

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
SCHEMBL3858226 0.83 CA2 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL691120 0.82 CTSK (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL6333383 0.81 KDM4E (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL16001108 0.81 CTSK (0.45) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3963009 0.81 CTSK (0.45) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5063537 0.81 ALDH1A1 (0.47) ALDH1A1TSHRCTSKMEN1GAA
SCHEMBL6333389 0.81 KDM4E (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3864219 0.81 SYK (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6333387 0.81 KDM4E (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7549986 0.81 CTSK (0.44) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610958-B1 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES (JP) 2001-10-04 EP disclosed
US-5496951-A 1-CYCLOPROPYL-6-FLUORO-8-FLUORINATED METHOXY COMPOUNDS INCLUDING BORON DIFLUORIDE CHELATE; CHEMICAL INTERMEDIATES AND ANTIBACTERIAL AGENTS SANKYO COMPANY, LIMITED (JP) 1996-03-05 US disclosed
US-5436367-A 3, 4-difluorobenzoic acid derivatives SANKO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
EP-0352123-B1 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES (JP) 1995-01-18 EP disclosed
US-5348961-A Antibacterial agents SANKYO COMPANY LIMITED (JP) 1994-09-20 US disclosed
EP-0610958-A2 Intermediates in the preparation of 4-oxoquinoline-3-carboxylic acid derivatives UBE INDUSTRIES, LTD. (JP) 1994-08-17 EP disclosed
US-5073556-A Bactericides SANKYO COMPANY LIMITED (JP) 1991-12-17 US disclosed
EP-0352123-A2 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES LIMITED (JP) 1990-01-24 EP disclosed