SCHEMBL6664951

SCHEMBL6664951

CCC=C(C(=O)OCC)C(=O)c1cc(F)c(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
ABCB1 P08183 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GLO1 Q04760 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 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
SCHEMBL263122 0.93 CYP1A2 (0.41) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL14111349 0.89 MAPT (0.42) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL10780740 0.87 LMNA (0.37) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL9684756 0.85 MAPT (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL2090061 0.85 MAPT (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL2090060 0.85 MAPT (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL4659561 0.84 CYP11B1 (0.39) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL9215706 0.84 MAPT (0.40) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL4659563 0.84 CYP11B1 (0.39) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL9561743 0.84 CYP11B1 (0.39) MAPTNPSR1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5077429-A 7-AMINO-1-CYCLOPROPYL-4-OXO-1,4-DIHYDRO-QUINOLINE- AND NAPHTHYRIDINE-3-CARBOXYLIC ACIDS, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THESE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-31 US claimed
EP-0831845-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2004-09-08 EP disclosed
US-5854227-A Therapeutic derivatives of diphosphonates ELIZANOR BIOPHARMACUETICALS, INC. 1998-12-29 US disclosed
EP-0831845-A4 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 1998-12-02 EP disclosed
EP-0831845-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS Elizanor Biopharmaceuticals, Inc. (US) 1998-04-01 EP disclosed
WO-1996040156-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
US-5077429-A 7-AMINO-1-CYCLOPROPYL-4-OXO-1,4-DIHYDRO-QUINOLINE- AND NAPHTHYRIDINE-3-CARBOXYLIC ACIDS, PROCESSES FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THESE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-31 US disclosed
US-4705788-A Novel antibacterial 7-amino-1(substituted cyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-11-10 US disclosed
US-4670444-A 7-amino-1-cyclopropyl-4-oxo-1, 4-dihydro-quinoline-and naphthyridine-3-carboxylic acids and antibacterial agents containing these compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-06-02 US disclosed
US-4620007-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1986-10-28 US disclosed
US-4547503-A 1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-[4-(oxo-alkyl)-1-piperazinyl]quinoline-3-carboxylic acids and their derivatives, and antibacterial agents containing them BAYER AKTIENGESELLSCHAFT (DE) 1985-10-15 US disclosed
US-4544658-A FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 1985-10-01 US disclosed