SCHEMBL688557

SCHEMBL688557

CCOCCC(=Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RECQL P46063 1/20 0.46
ALOX5 P09917 2/20 0.46
PTGES O14684 1/20 0.46
PPARG P37231 1/20 0.46
AKR1C3 P42330 1/20 0.44
NR1I2 O75469 1/20 0.44
APEX1 P27695 3/20 0.44
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
AKR1C1 Q04828 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL23069368 0.85 KDM4E (0.47) ALOX5PTGESPPARGAKR1C3LMNA
SCHEMBL490257 0.85 KDM4E (0.47) ALOX5PTGESPPARGAKR1C3LMNA
SCHEMBL6144649 0.83 CYP3A4 (0.54) CYP3A4CYP2C9MEN1KMT2ARECQL
SCHEMBL3256825 0.81 CYP3A4 (0.59) CYP3A4CYP2C9MEN1KMT2ARECQL
SCHEMBL8858244 0.81 CYP3A4 (0.59) CYP3A4CYP2C9MEN1KMT2ARECQL
SCHEMBL1145282 0.79 CYP3A4 (0.53) CYP3A4CYP2C9MEN1KMT2ARECQL
SCHEMBL524131 0.78 ALOX5 (0.59) CYP3A4CYP2C9MEN1KMT2ARECQL
SCHEMBL1786246 0.78 ALOX5 (0.59) CYP3A4CYP2C9MEN1KMT2ARECQL
SCHEMBL8702152 0.78 ALOX5 (0.59) CYP3A4CYP2C9MEN1KMT2ARECQL
SCHEMBL524132 0.78 ALOX5 (0.59) CYP3A4CYP2C9MEN1KMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1793792-B1 COMPOSITION COMPRISING THE EXTRACT OF ACTINIDIA ARGUTA FOR PREVENTING AND TREATING ALOPECIA AND SEBORRHEIC SKIN DISORDERS HELIXIR CO LTD (KR) 2012-02-29 EP disclosed
EP-2329835-A1 Composition comprising the extract of actinidia arguta and related species for the prevention and treatment of allergic disease and non-allergic inflammatory disease Helixir Co., Ltd. (KR) 2011-06-08 EP disclosed
US-7932232-B2 Inhibits activity of tyrosinase BIOLAND LTD. (KR) 2011-04-26 US disclosed