SCHEMBL698688

SCHEMBL698688

O=c1cc(C(F)(F)F)c2ccccc2o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
HSD17B3 P37058 1/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
GAA P10253 1/20 0.63
SRC P12931 1/20 0.63
HPGD P15428 1/20 0.63
CASP1 P29466 1/20 0.63
CASP7 P55210 1/20 0.63
KMT2A Q03164 1/20 0.63
ATM Q13315 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
HSD17B10 Q99714 1/20 0.63
TLR9 Q9NR96 1/20 0.63
MCL1 Q07820 1/20 0.57
NQO1 P15559 1/20 0.56
AR P10275 9/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL30177134 1.00 ALDH1A1 (0.63) ALDH1A1HSD17B3KDM4EMEN1GAA
Ammonia Solution, Strong SCHEMBL599296 0.98 ALDH1A1 (0.61) ALDH1A1HSD17B3KDM4EMEN1GAA
Phosphoric Acid SCHEMBL3361101 0.92 HSD17B3 (0.59) ALDH1A1HSD17B3KDM4EMEN1GAA
Diethylamine SCHEMBL1771393 0.88 ALDH1A1 (0.51) ALDH1A1HSD17B3KDM4EMEN1GAA
SCHEMBL1771050 0.85 CYP1A2 (0.51) ALDH1A1HSD17B3KDM4EMEN1GAA
Esculetin SCHEMBL4065440 0.84 MCL1 (0.61) ALDH1A1HSD17B3KDM4EMEN1GAA
SCHEMBL4620259 0.83 KDM4E (0.68) ALDH1A1HSD17B3KDM4EMEN1GAA
SCHEMBL28134048 0.83 KDM4E (0.50) ALDH1A1HSD17B3KDM4EMEN1GAA
SCHEMBL7819347 0.81 NQO1 (0.56) ALDH1A1HSD17B3KDM4EMEN1GAA
SCHEMBL15842388 0.81 NQO1 (0.56) ALDH1A1HSD17B3KDM4EMEN1GAA

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 162 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9127092-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2015-09-08 US claimed
WO-2014136115-A1 NON-SELFABSORBING LUMINESCENT SOLAR CONCENTRATOR YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-09-12 WO claimed
US-20140187725-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2014-07-03 US claimed
US-8409814-B2 Sensor proteins and assay methods Life Technologies Corporation (US) 2013-04-02 US claimed
US-20110111422-A1 SENSOR PROTEINS AND ASSAY METHODS Life Technologies Corporation (US) 2011-05-12 US claimed
US-7619059-B2 Bimolecular optical probes Life Technologies Corporation (US) 2009-11-17 US claimed
EP-2061884-A2 SENSOR PROTEINS AND ASSAY METHODS Invitrogen Corporation (US) 2009-05-27 EP claimed
WO-2008112008-A9 SENSOR PROTEINS AND ASSAY METHODS INVITROGEN CORP (US) 2008-11-20 WO claimed
WO-2008112008-A2 SENSOR PROTEINS AND ASSAY METHODS INVITROGEN CORPORATION (US) 2008-09-18 WO claimed
US-20080213811-A1 SENSOR PROTEINS AND ASSAY METHODS INVITROGEN CORPORATION (US) 2008-09-04 US claimed
EP-1671128-A2 MULTIPLEX BINDING AND ACTIVITY ASSAYS INVITROGEN CORPORATION (US) 2006-06-21 EP claimed
WO-2005026730-A2 MULTIPLEX BINDING AND ACTIVITY ASSAYS INVITROGEN CORPORATION (US) 2005-03-24 WO claimed
US-20050064485-A1 Multiplex binding and activity assays Life Technologies Corporation 2005-03-24 US claimed
US-6025472-A PEPTIDE ALDEHYDES WHICH ARE POTENT INHIBITORS OF FACTOR XA, USEFUL AS THERAPEUTIC AGENTS FOR DISEASE STATES IN MAMMALS CHARACTERIZED BY ABNORMAL THROMBOSIS CORVAS INTERNATIONAL, INC. (US) 2000-02-15 US claimed
US-5696231-A ANTICOAGULANTS; CARDIOVASCULAR DISORDERS CORVAS INTERNATIONAL, INC. (US) 1997-12-09 US claimed
EP-0801654-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1997-10-22 EP claimed
WO-1997008342-A1 CYTOCHROME P450 REPORTER GENE GENTEST CORPORATION (US) 1997-03-06 WO claimed
WO-1996019493-A1 N-SUBSTITUTED GLYCINE DERIVATIVES AS INHIBITORS OF FACTOR Xa CORVAS INTERNATIONAL, INC. (US) 1996-06-27 WO claimed
US-12404358-B2 Hydrophobic, low glass transition temperature oligomer with chain transfer agent COLUMBIA INSURANCE COMPANY (US) 2025-09-02 US disclosed
US-4051062-A 7-Amino coumarin dyes for flashlamp-pumped dye lasers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1977-09-27 US disclosed