SCHEMBL6552590

SCHEMBL6552590

CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.66
TSHR P16473 1/20 0.66
ATM Q13315 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
LMNA P02545 2/20 0.59
KDM4E B2RXH2 1/20 0.59
DUSP3 P51452 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MAPT P10636 1/20 0.58
ALDH1A1 P00352 1/20 0.57
PRKCA P17252 4/20 0.56
PRKCE Q02156 2/20 0.56
PRKCQ Q04759 2/20 0.56
PRKCD Q05655 2/20 0.56
DGKA P23743 2/20 0.53
LPAR6 P43657 1/20 0.49
LPAR1 Q92633 1/20 0.49
LPAR4 Q99677 1/20 0.49
LPAR5 Q9H1C0 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
SCHEMBL1695575 1.00 CYP3A4 (0.66) CYP3A4TSHRATMTDP1LMNA
SCHEMBL6552520 1.00 CYP3A4 (0.66) CYP3A4TSHRATMTDP1LMNA
SCHEMBL29221993 1.00 CYP3A4 (0.66) CYP3A4TSHRATMTDP1LMNA
SCHEMBL29148386 0.98 CYP3A4 (0.69) CYP3A4TSHRATMTDP1LMNA
SCHEMBL25924140 0.98 CYP3A4 (0.64) CYP3A4TSHRATMTDP1LMNA
SCHEMBL16826386 0.97 CYP3A4 (0.66) CYP3A4TSHRATMTDP1LMNA
SCHEMBL16013015 0.97 CYP3A4 (0.66) CYP3A4TSHRATMTDP1LMNA
SCHEMBL26211677 0.95 CYP3A4 (0.64) CYP3A4TSHRATMTDP1LMNA
SCHEMBL16882778 0.94 CYP3A4 (0.77) CYP3A4TSHRATMTDP1LMNA
SCHEMBL22029525 0.93 CYP3A4 (0.74) CYP3A4TSHRATMTDP1LMNA

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-1097930-B1 Method for producing macrocyclic lactone KAO CORP (JP) 2004-02-11 EP disclosed
US-6617304-B1 Subjecting a hydroxycarboxylic acid ester to intramolecular esterification reaction,which may be obtained by partially reducing a dibasic acid in the presence of an alcohol KAO CORPORATION (JP) 2003-09-09 US disclosed
EP-1097930-A1 Method for producing macrocyclic lactone Kao Corporation (JP) 2001-05-09 EP disclosed