SCHEMBL6604458

SCHEMBL6604458

O=CCOc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTR1B P28222 9/20 0.55
KCNA3 P22001 1/20 0.51
HTR1D P28221 2/20 0.50
OGG1 O15527 1/20 0.50
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
SLC6A4 P31645 2/20 0.49
HRH1 P35367 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.47
NR2E1 Q9Y466 1/20 0.47

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
Water SCHEMBL9707280 0.98 KDM4E (0.54) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL1394420 0.84 HTR1B (0.58) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL7355381 0.81 HTR1B (0.61) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL4371294 0.81 HPGD (0.56) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL1306417 0.81 HTR1B (0.55) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL8541531 0.81 HTR1B (0.55) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL7162394 0.80 HTR1B (0.62) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL7991108 0.80 KCNA3 (0.57) KDM4EALDH1A1KCNA3CYP1A2CYP2C19
SCHEMBL7415980 0.80 ERN1 (0.40) KDM4EALDH1A1HPGDTDP1HTR1B
Water SCHEMBL21694712 0.79 HPGD (0.55) KDM4EALDH1A1HPGDTDP1HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004065411-A2 PEPTIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-08-05 WO claimed
EP-0601486-B1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD (KR) 1997-10-29 EP claimed
EP-0601486-A1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD. (KR) 1994-06-15 EP claimed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO claimed
JP-6256270-A None JP disclosed
US-9493436-B2 Tyrosine phosphatase inhibitors and uses thereof to modulate the activity of enzymes involved in the pathology of Mycobacterium tuberculosis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-11-15 US disclosed
EP-1212309-B1 CASPASE INHIBITOR LG CHEM INVESTMENT LTD (KR) 2004-08-18 EP disclosed
WO-2004065411-A2 PEPTIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-08-05 WO disclosed
US-6747050-B1 INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS LG CHEM INVESTMENT LTD. (KR) 2004-06-08 US disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO disclosed
EP-1212309-A4 CASPASE INHIBITOR LG CHEM INVESTMENT LTD (KR) 2002-11-27 EP disclosed
WO-2001021600-A1 CASPASE INHIBITOR LG CHEM INVESTMENT LTD. (KR) 2001-03-29 WO disclosed
US-5763631-A CIS-EPOXIDE COMPOUNDS; ANTIVIRUS AGENTS; USEFUL TO TREAT THE AIDS LUCKY LIMITED (KR) 1998-06-09 US disclosed
US-5744621-A CIS-EPOXIDE COMPOUNDS LUCKY LIMITED. (KR) 1998-04-28 US disclosed
EP-0601486-B1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD (KR) 1997-10-29 EP disclosed
US-5587388-A AIDS; VIRICIDES LUCKY LIMITED (KR) 1996-12-24 US disclosed
JP-H06256270-A PRODUCTION OF (S)-PROPRANOLOL CHISSO CORP 1994-09-13 JP disclosed
EP-0601486-A1 Cis-epoxide derivatives useful as irreversible HIV protease inhibitors and process and intermediates for their preparation LUCKY LTD. (KR) 1994-06-15 EP disclosed
WO-1993013066-A1 CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-07-08 WO disclosed