SCHEMBL7804290

SCHEMBL7804290

CC(C)(C)OC(=O)NC1CN(C(=O)OC(C)(C)C)CC1CO

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
PDE4B Q07343 3/20 0.43
USP30 Q70CQ3 2/20 0.40
RORC P51449 1/20 0.40
EPHX1 P07099 1/20 0.39
NAMPT P43490 1/20 0.38
CTSK P43235 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HSD11B1 P28845 2/20 0.38
CYP2C9 P11712 1/20 0.38
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL19695872 1.00 NR1H2 (0.51) NR1H2PDE4BUSP30RORCEPHX1
SCHEMBL8264595 0.90 NR1H2 (0.52) NR1H2PDE4BUSP30RORCEPHX1
SCHEMBL29072038 0.89 NR1H2 (0.38) NR1H2PDE4BCTSKCA1CA2
SCHEMBL3577002 0.89 NR1H2 (0.38) NR1H2PDE4BCTSKCA1CA2
SCHEMBL3575423 0.89 NR1H2 (0.38) NR1H2PDE4BCTSKCA1CA2
SCHEMBL2801828 0.89 NR1H2 (0.38) NR1H2PDE4BCTSKCA1CA2
SCHEMBL7804188 0.86 PDE4B (0.44) NR1H2PDE4BUSP30EPHX1NAMPT
SCHEMBL19695861 0.85 NR1H2 (0.54) NR1H2PDE4BUSP30RORCEPHX1
SCHEMBL30999437 0.85 NR1H2 (0.54) NR1H2PDE4BUSP30RORCEPHX1
SCHEMBL2937534 0.84 NR1H2 (0.42) NR1H2PDE4BUSP30RORCEPHX1

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 10 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
CN-1028226-C 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES (JP) 1995-04-19 CN 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
CN-1040977-A The preparation and the use of 4-Oxoquinoline-3-carboxylic acid derivative UBE INDUSTRIES (JP) 1990-04-04 CN disclosed
EP-0352123-A2 4-Oxoquinoline-3-carboxylic acid derivatives, their preparation and their use UBE INDUSTRIES LIMITED (JP) 1990-01-24 EP disclosed