SCHEMBL15329262

SCHEMBL15329262

COc1cc(CCNC(=O)c2ccccc2O)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.60
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
ALOX5 P09917 1/20 0.56
OR51E2 Q9H255 1/20 0.56
NOX4 Q9NPH5 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL1031773 0.87 TRPV1 (0.59) CYP1A2CYP3A4CYP2C9CYP2C19HPGD
SCHEMBL898238 0.86 ALOX5 (0.58) MTNR1AMTNR1BALOX5OR51E2NOX4
SCHEMBL29561675 0.86 ALOX5 (0.58) MTNR1AMTNR1BALOX5OR51E2NOX4
SCHEMBL5071230 0.86 THRA (0.57) MTNR1AMTNR1BALOX5OR51E2LMNA
SCHEMBL5726019 0.86 ALDH1A1 (0.63) MTNR1AMTNR1BALOX5OR51E2HPGD
SCHEMBL6262760 0.84 ALOX15 (0.66) ESRRGCYP3A4HPGDTSHRLMNA
SCHEMBL1841125 0.83 ALOX5 (0.63) MTNR1AMTNR1BALOX5OR51E2CYP1A2
Hydrochloric Acid SCHEMBL4946917 0.82 IARS1 (0.55)
SCHEMBL6267575 0.82 CYP1A2 (0.65) CYP1A2CYP3A4CYP2C9CYP2C19HPGD
SCHEMBL18619475 0.81 DNMT3A (0.60) CYP1A2CYP3A4CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9508491-B2 Method for improving electrical parameters in capacitors comprising PEDOT/PSS as a solid electrolyte through a polyalkylene glycol Heraeus Deutschland GmbH & Co. KG (DE) 2016-11-29 US disclosed
US-20130279079-A1 METHOD FOR IMPROVING ELECTRICAL PARAMETERS IN CAPACITORS COMPRISING PEDOT/PSS AS A SOLID ELECTROLYTE THROUGH A POLYALKYLENE GLYCOL HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2013-10-24 US disclosed