SCHEMBL3684586

SCHEMBL3684586

O=C(CCCc1ccccc1)OC1CCCCCCCCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.57
NAAA Q02083 2/20 0.53
EPHX1 P07099 3/20 0.52
HDAC3 O15379 1/20 0.50
MAPK1 P28482 1/20 0.50
ADRA1A P35348 1/20 0.50
HDAC4 P56524 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CYP19A1 P11511 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL5652287 1.00 EPHX2 (0.57) EPHX2NAAAEPHX1HDAC3MAPK1
SCHEMBL10007758 0.91 TDP1 (0.54) EPHX2NAAAEPHX1CYP19A1TAAR1
SCHEMBL21878642 0.89 NAAA (0.68) EPHX2NAAAEPHX1KMT2AMEN1
SCHEMBL8403422 0.89 TDP1 (0.56) EPHX2NAAAEPHX1CYP19A1TAAR1
SCHEMBL28223020 0.86 TDP1 (0.56) CYP19A1TAAR1ALDH1A1NPC1TDP1
SCHEMBL13455675 0.85 EPHX2 (0.45) EPHX2EPHX1HDAC3MAPK1ADRA1A
SCHEMBL11046760 0.84 NAAA (0.52) EPHX2NAAAEPHX1MAPK1CYP19A1
SCHEMBL28223143 0.83 NAAA (0.48) EPHX2NAAACYP19A1KDM4EALDH1A1
SCHEMBL11043206 0.82 NAAA (0.51) EPHX2NAAAMAPK1CYP19A1KDM4E
SCHEMBL21768329 0.82 TDP1 (0.59) HDAC2HDAC8HDAC6ALDH1A1KMT2A

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-7973193-B2 Method for producing ester condensed product JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-05 US disclosed
US-7973193-B2 Method for producing ester condensed product JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-05 US disclosed
EP-1731498-B1 METHOD FOR PRODUCING ESTER AND ESTERIFICATION CATALYST INST NAGOYA IND SCIENCE RES (JP) 2010-05-19 EP disclosed
EP-1731498-A1 METHOD FOR PRODUCING ESTER AND ESTERIFICATION CATALYST Nagoya Industrial Science Research Institute (JP) 2006-12-13 EP disclosed