SCHEMBL1998640

SCHEMBL1998640

O=[N+]([O-])c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
ALOX15 P16050 2/20 0.52
HPGD P15428 1/20 0.52
HIF1A Q16665 1/20 0.52
TXNRD1 Q16881 1/20 0.52
TXNRD3 Q86VQ6 1/20 0.52
TXNRD2 Q9NNW7 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SIRT6 Q8N6T7 1/20 0.51
AR P10275 3/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 3/20 0.50
CES2 O00748 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PGR P06401 2/20 0.50

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
SCHEMBL21398349 0.87 MAPK1 (0.48) CYP3A4ALDH1A1TSHRALOX15HPGD
SCHEMBL13208348 0.87 AR (0.54) CYP3A4ALDH1A1TSHRALOX15HPGD
SCHEMBL29398386 0.85 ALDH1A1 (0.56) CYP3A4ALDH1A1TSHRALOX15HPGD
SCHEMBL1995690 0.85 ALDH1A1 (0.56) CYP3A4ALDH1A1TSHRALOX15HPGD
SCHEMBL29942185 0.84 ALDH1A1 (0.60) CYP3A4ALDH1A1TSHRALOX15HPGD
SCHEMBL7240751 0.84 ALDH1A1 (0.60) CYP3A4ALDH1A1TSHRALOX15HPGD
SCHEMBL29580528 0.81 TDP1 (0.60) CYP3A4ALDH1A1TSHRALOX15HPGD
SCHEMBL3778792 0.81 MAPK1 (0.55) CYP3A4ALDH1A1TSHRALOX15HPGD
SCHEMBL113070 0.81 TDP1 (0.60) CYP3A4ALDH1A1TSHRALOX15HPGD
SCHEMBL30822033 0.81 MAPK1 (0.55) CYP3A4ALDH1A1TSHRALOX15HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
CN-104557757-A CETP inhibitors MERCK & CO INC 2015-04-29 CN disclosed
CN-104447603-A CETP inhibitors MERCK SHARP & DOHME 2015-03-25 CN disclosed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US disclosed
CN-102311401-B CETP inhibitors MERCK & CO INC 2014-12-03 CN disclosed
CN-102304096-B CETP inhibitors MERCK SHARP & DOHME 2014-12-03 CN disclosed
EP-2338935-B1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS CO LTD (JP) 2012-12-12 EP disclosed
US-20110172336-A1 FLUOROCOPOLYMER COMPOSITION AND ITS PRODUCTION PROCESS ASAHI GLASS COMPANY, LIMITED (JP) 2011-07-14 US disclosed
EP-2338935-A1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS COMPANY, LIMITED (JP) 2011-06-29 EP disclosed