SCHEMBL4086224

SCHEMBL4086224

COc1cc(CCCCCC(=O)O)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.70
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
CYP2C8 P10632 1/20 0.65
CYP2B6 P20813 1/20 0.65
TSHR P16473 2/20 0.63
ALDH1A1 P00352 2/20 0.63
GAA P10253 1/20 0.63
NFKB1 P19838 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
OR51E2 Q9H255 1/20 0.62
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
TRPV1 Q8NER1 2/20 0.59
TAAR1 Q96RJ0 2/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56

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
SCHEMBL7824983 0.98 ALOX5 (0.71) ALOX5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3175165 0.94 TSHR (0.67) ALOX5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28378162 0.88 ALOX5 (0.66) ALOX5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11575857 0.88 ALOX5 (0.66) ALOX5CYP1A2CYP3A4CYP2C9CYP2C19
Azelaic Acid SCHEMBL28665277 0.88 TSHR (0.63) ALOX5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2683415 0.88 ALOX5 (0.66) ALOX5CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7415347 0.88 PPARA (0.58) ALOX5
Dihydroferulic Acid SCHEMBL29383405 0.88 ALOX5 (0.74) ALOX5CYP1A2CYP3A4CYP2C9CYP2C19
Dihydroferulic Acid SCHEMBL30210940 0.88 ALOX5 (0.74) ALOX5CYP1A2CYP3A4CYP2C9CYP2C19
Dihydroferulic Acid SCHEMBL347918 0.88 ALOX5 (0.74) ALOX5CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090011041-A1 Compositions for Correcting Age Related Changes of a Human Endocrine System and Methods for Producing a Pharmaceutical Form Bases on Said Compositions OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTYU 'RUSGEN' (RU) 2009-01-08 US disclosed
CN-1964728-A Compositions for correcting age related changes of a human endocrine system and methods for producing a pharmaceutical form bases on said compositions OBSCHESTVO S OGRANICHENNOI OTV (RU) 2007-05-16 CN disclosed
EP-1752155-A1 COMPOSITIONS FOR CORRECTING AGE RELATED CHANGES OF A HUMAN ENDOCRINE SYSTEM AND METHODS FOR PRODUCING A PHARMACEUTICAL FORM BASES ON SAID COMPOSITIONS Obschestvo S Ogranichennoi Otvetstvennostyu "Rusgen" (RU) 2007-02-14 EP disclosed
CN-1040062-C Pharmacologically active compounds, methods for the preparing thereof and compositions containing same ORION YHTYMAE OY (FI) 1998-10-07 CN disclosed