SCHEMBL7804188

SCHEMBL7804188

COCC1CN(C(=O)OC(C)(C)C)CC1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.44
NR1H2 P55055 1/20 0.43
USP30 Q70CQ3 2/20 0.39
EPHX1 P07099 1/20 0.37
NAMPT P43490 1/20 0.37
CTSK P43235 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD11B1 P28845 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL20722471 0.89 CTSK (0.36) PDE4BCTSKCA1CA2CYP2C9
SCHEMBL20722443 0.89 CTSK (0.36) PDE4BCTSKCA1CA2CYP2C9
SCHEMBL20722655 0.89 CTSK (0.36) PDE4BCTSKCA1CA2CYP2C9
SCHEMBL29286100 0.89 CTSK (0.36) PDE4BCTSKCA1CA2CYP2C9
SCHEMBL29286101 0.89 CTSK (0.36) PDE4BCTSKCA1CA2CYP2C9
SCHEMBL7804290 0.86 NR1H2 (0.51) PDE4BNR1H2USP30EPHX1NAMPT
SCHEMBL19695872 0.86 NR1H2 (0.51) PDE4BNR1H2USP30EPHX1NAMPT
SCHEMBL20731045 0.82 PDE4B (0.57) PDE4BUSP30CTSKSMN1; SMN2
SCHEMBL28562947 0.82 PDE4B (0.57) PDE4BUSP30CTSKSMN1; SMN2
SCHEMBL21704385 0.82 PDE4B (0.57) PDE4BUSP30CTSKSMN1; SMN2

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