SCHEMBL8335693

SCHEMBL8335693

CCOC(=O)c1cc(F)c(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
BAZ2B Q9UIF8 1/20 0.53
BAZ2A Q9UIF9 1/20 0.53
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA12 O43570 3/20 0.51
CA9 Q16790 3/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.44
CA7 P43166 2/20 0.44
CA14 Q9ULX7 2/20 0.44

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
SCHEMBL2549970 0.91 LMNA (0.60) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL5280799 0.90 CYP4F2 (0.49) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL9242997 0.87 CYP1A2 (0.52) LMNAMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL365356 0.86 CYP4F2 (0.49) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL29039368 0.85 CA1 (0.51) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL9573792 0.85 ALDH1A1 (0.49) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL2474949 0.85 CYP4F2 (0.52) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL16962416 0.84 BAZ2B (0.48) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL9246288 0.84 CYP1A2 (0.56) LMNAMAPTHPGDSMN1; SMN2CYP1A2
SCHEMBL30508547 0.82 CA1 (0.51) CYP4F2CYP4A11BAZ2BBAZ2ACA1

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
US-4914228-A Preparation of halogenated quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 US claimed
US-5886210-A Method for preparing aromatic compounds ROHM AND HAAS COMPANY (US) 1999-03-23 US disclosed
EP-0825173-A1 Method for preparing aromatic compounds ROHM AND HAAS COMPANY (US) 1998-02-25 EP disclosed
EP-0355774-B1 Nucleus-fluorinated aromatic carboxylates and processes for their production ASAHI GLASS CO LTD (JP) 1995-04-26 EP disclosed
US-4990646-A Preparation of halogenated quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4985588-A Nucleus-fluorinated aromatic carboxylates and processes for their production ASAHI GLASS COMPANY LTD. (JP) 1991-01-15 US disclosed
US-4914228-A Preparation of halogenated quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed
EP-0355774-A2 Nucleus-fluorinated aromatic carboxylates and processes for their production ASAHI GLASS COMPANY LTD. (JP) 1990-02-28 EP disclosed
US-4782156-A Nitriles of halogenated quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1988-11-01 US disclosed
US-4680401-A Preparation of halogenated quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1987-07-14 US disclosed