SCHEMBL9487472

SCHEMBL9487472

Nc1ccc(OC(F)(F)C(F)F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CETP P11597 5/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
PDE2A O00408 1/20 0.35
SCN9A Q15858 2/20 0.34
TRPV1 Q8NER1 3/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIM1 P11309 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
SCHEMBL9488751 0.88 LMNA (0.41) ALDH1A1CETPALOX5APFEN1CA12
SCHEMBL9488794 0.88 ALDH1A1 (0.47) ALDH1A1CETPALOX5APFEN1CA12
SCHEMBL10582819 0.85 CETP (0.37) ALDH1A1CETPALOX5APFEN1PDE2A
SCHEMBL9648300 0.85 ALDH1A1 (0.36) ALDH1A1ALOX5APFEN1CA12CA1
SCHEMBL10497921 0.85 NR4A1 (0.50) ALDH1A1CETPSCN9ATRPV1TSHR
SCHEMBL9489317 0.84 ALDH1A1 (0.38) ALDH1A1ALOX5APFEN1CA12CA1
Hydrochloric Acid SCHEMBL9527510 0.83 NR4A1 (0.48) ALDH1A1CETPSCN9ATRPV1TSHR
SCHEMBL10592964 0.82 ALDH1A1 (0.34) ALDH1A1ALOX5APFEN1PDE2A
SCHEMBL519232 0.82 ALDH1A1 (0.46) ALDH1A1ALOX5APFEN1CA12CA1
SCHEMBL10590774 0.80 ALDH1A1 (0.33) ALDH1A1ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318781-B1 ALKOXYANILINES CONTAINING FLUORINE ATOMS ON THE AROMATIC RING AND ON THE SIDE CHAINS AND PROCESS FOR THE PREPARATION OF ALKOXYANILINES CONTAINING FLUORINE ATOMS ON THE AROMATIC RING AND ON THE SIDE CHAIN BAYER AG (DE) 1993-06-23 EP claimed
JP-1168651-A None JP disclosed
EP-0318781-B1 ALKOXYANILINES CONTAINING FLUORINE ATOMS ON THE AROMATIC RING AND ON THE SIDE CHAINS AND PROCESS FOR THE PREPARATION OF ALKOXYANILINES CONTAINING FLUORINE ATOMS ON THE AROMATIC RING AND ON THE SIDE CHAIN BAYER AG (DE) 1993-06-23 EP disclosed
EP-0318782-B1 SUBSTITUTED BENZOYL(THIO) UREAS BAYER AG (DE) 1993-01-20 EP disclosed
US-5157155-A Insecticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-20 US disclosed
EP-0277748-B1 A BENZOYLUREA DERIVATIVE AND ITS PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-13 EP disclosed
US-4985460-A Ovicide and Chemosterilant for Insects SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-15 US disclosed
US-4904696-A Benzoylurea derivative and its production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-27 US disclosed
JP-H01168651-A ALKOXYANILINE CONTAINING FLUORINE ATOM IN AROMATIC NUCLEUS AND SIDE CHAIN BAYER AG 1989-07-04 JP disclosed
EP-0318782-A2 Substituted benzoyl(thio) ureas BAYER AG (DE) 1989-06-07 EP disclosed
EP-0318781-A2 Alkoxyanilines containing fluorine atoms on the aromatic ring and on the side chains and process for the preparation of alkoxyanilines containing fluorine atoms on the aromatic ring and on the side chain BAYER AG (DE) 1989-06-07 EP disclosed
EP-0318781-A2 Alkoxyanilines containing fluorine atoms on the aromatic ring and on the side chains and process for the preparation of alkoxyanilines containing fluorine atoms on the aromatic ring and on the side chain BAYER AG (DE) 1989-06-07 EP disclosed
EP-0277748-A1 A benzoylurea derivative and its production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-08-10 EP disclosed