SCHEMBL8437121

SCHEMBL8437121

CCOC(=O)/C(=C\NC1CC1)C(=O)c1cc(F)c(F)c(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
GAA P10253 4/20 0.37
MAPT P10636 5/20 0.36
NPSR1 Q6W5P4 5/20 0.36
GPR35 Q9HC97 2/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 3/20 0.34
DHODH Q02127 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33

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
SCHEMBL9562451 1.00 POLB (0.39) POLBGAAMAPTNPSR1GPR35
SCHEMBL8437126 1.00 POLB (0.39) POLBGAAMAPTNPSR1GPR35
SCHEMBL10774719 0.94 POLB (0.39) POLBGAAMAPTNPSR1GPR35
SCHEMBL10774716 0.94 POLB (0.39) POLBGAAMAPTNPSR1GPR35
SCHEMBL8436286 0.91 MAPT (0.36) POLBGAAMAPTNPSR1GPR35
SCHEMBL8436285 0.91 MAPT (0.36) POLBGAAMAPTNPSR1GPR35
SCHEMBL10472438 0.91 POLB (0.39) POLBGAAMAPTNPSR1GPR35
SCHEMBL10472436 0.91 POLB (0.39) POLBGAAMAPTNPSR1GPR35
SCHEMBL8775494 0.91 MAPT (0.36) POLBGAAMAPTNPSR1MEN1
SCHEMBL9676468 0.91 MAPT (0.36) POLBGAAMAPTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5969141-A Intermediates for 7-amino-1-cyclopropyl-6,8-dihalogeno-1,4-dihydro-4-oxo-3-quinolinecarbox ylic acid antibacterial agents BAYER AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed
US-5777181-A 2, 4, 5-trihalogeno- and 2, 3, 4, 5-tetrahalogenobenzene derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed
US-5631266-A BACTERICIDES EFFECTIVE AGAINST STAPHYLOCOCCUS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-05-20 US disclosed
US-5571812-A TREATMENT OF INFECTIONS OF GRAMNEGATIVE AND GRAMPOSITIVE BACTERIA BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
US-5565614-A FLUORINATION BAYER AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed
US-5530158-A CHEMICAL INTERMEDIATE FOR ANTIBACTERIALS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
US-5498615-A BROAD SPECTRUM ANTIBACTERIALS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-03-12 US disclosed
US-5468861-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
US-5362909-A Two stage fluorination BAYER AKTIENGESELLSCHAFT (DE) 1994-11-08 US disclosed
US-5200548-A Intermediates for bactericides BAYER AKTIENGESELLSCHAFT (DE) 1993-04-06 US disclosed
EP-0366149-B1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLORO-2,4,5-TRIFLUOROBENZOIC ACID WARNER-LAMBERT COMPANY (US) 1993-01-13 EP disclosed
US-5072038-A Chemical intermediates for bactericides BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0366149-A1 Improved process for the synthesis of 3-chloro-2,4,5-trifluorobenzoic acid WARNER-LAMBERT COMPANY (US) 1990-05-02 EP disclosed
US-4885386-A Process for the synthesis of 3-chloro-2,4,5-trifluorobenzoic acid WARNER-LAMBERT COMPANY (US) 1989-12-05 US disclosed
EP-0183129-B1 QUINOLONECARBOXYLIC ACID DERIVATIVES KYORIN PHARMACEUTICAL CO., LTD. (JP) 1989-08-09 EP disclosed
US-4771054-A QUINOLINE CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
EP-0195841-A1 Quinolinecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-10-01 EP disclosed
EP-0195316-A1 Quinolonecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-09-24 EP disclosed
EP-0183129-A1 Quinolonecarboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1986-06-04 EP disclosed