SCHEMBL2367672

SCHEMBL2367672

O=C(O)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.58
KIF11 P52732 2/20 0.48
PTGDR2 Q9Y5Y4 4/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
FFAR4 Q5NUL3 2/20 0.44
FFAR1 O14842 1/20 0.44
CYP2C8 P10632 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
FABP7 O15540 1/20 0.42
FABP3 P05413 1/20 0.42
FABP5 Q01469 1/20 0.42

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
SCHEMBL15703747 0.86 BACE1 (0.74) BACE1KIF11PTGDR2RXRARXRB
SCHEMBL6217790 0.86 BACE1 (0.54) BACE1KIF11PTGDR2RXRARXRB
SCHEMBL237544 0.85 FABP3 (0.43) BACE1PTGDR2RXRARXRBRXRG
SCHEMBL237517 0.84 NPSR1 (0.49) BACE1AKR1C3AKR1C2FABP7FABP3
SCHEMBL29949950 0.84 NPSR1 (0.49) BACE1AKR1C3AKR1C2FABP7FABP3
SCHEMBL236823 0.83 FABP3 (0.53) RXRARXRBRXRGFFAR4FABP7
SCHEMBL2367793 0.83 BACE1 (0.61) BACE1KIF11PTGDR2RXRARXRB
SCHEMBL235937 0.83 ALDH1A1 (0.44) BACE1FABP7FABP3FABP5KDM4E
SCHEMBL30517740 0.83 ALDH1A1 (0.44) BACE1FABP7FABP3FABP5KDM4E
SCHEMBL1639323 0.82 FABP3 (0.56) RXRARXRBRXRGFABP7FABP3

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-0868535-B9 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES QIAGEN GENOMICS INC (US) 2007-05-09 EP claimed
EP-0868535-B2 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES QIAGEN GENOMICS INC (US) 2006-01-04 EP claimed
EP-0868535-B1 METHODS AND COMPOSITIONS FOR DETERMINING THE SEQUENCE OF NUCLEIC ACID MOLECULES RAPIGENE INC (US) 2000-04-12 EP claimed
EP-2366680-A2 Method for manufacturing 4'-halogenalkyl-biphenyl-2-carboxylic acids Saltigo GmbH (DE) 2011-09-21 EP disclosed
EP-1202969-B1 BIPHENYL DERIVATIVES, PRODUCTION THEREOF AND USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2005-03-09 EP disclosed
EP-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
EP-1223158-B1 Process for preparing trifluoromethyl substituted biphenyl carboxylic acids and novel trichloromethyl and trifluoromethyl substituted biphenyl nitriles BAYER CHEMICALS AG (DE) 2004-08-11 EP disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 WO disclosed
EP-1223158-A1 Process for preparing trifluoromethyl substituted biphenyl carboxylic acids and novel trichloromethyl and trifluoromethyl substituted biphenyl nitriles Bayer Aktiengesellschaft (DE) 2002-07-17 EP disclosed
EP-1112991-A3 Process for the preparation of 4'-trifluoromethyl-2-methylbiphenyl and 4'-trifluoromethylbiphenyl-2-carboxylic acid from o-tolylmetallates Clariant GmbH (DE) 2002-02-06 EP disclosed
EP-1112991-A2 Process for the preparation of 4'-trifluoromethyl-2-methylbiphenyl and 4'-trifluoromethylbiphenyl-2-carboxylic acid from o-tolylmetallates Clariant GmbH (DE) 2001-07-04 EP disclosed
EP-1112991-A2 Process for the preparation of 4'-trifluoromethyl-2-methylbiphenyl and 4'-trifluoromethylbiphenyl-2-carboxylic acid from o-tolylmetallates Clariant GmbH (DE) 2001-07-04 EP disclosed