SCHEMBL301567

SCHEMBL301567

CCCCCCCc1[nH]c2ccccc2c(=O)c1O.CCCCCc1[nH]c2ccccc2c(=O)c1O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
ALDH1A1 P00352 6/20 0.63
HPGD P15428 6/20 0.63
HSD17B10 Q99714 6/20 0.63
GAA P10253 1/20 0.60
OXER1 Q8TDS5 1/20 0.55
CTSV O60911 2/20 0.55
CTSL P07711 2/20 0.55
CYP2D6 P10635 1/20 0.53
USP2 O75604 1/20 0.49
GSK3B P49841 1/20 0.46

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
SCHEMBL130919 1.00 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL29365383 1.00 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL16237897 1.00 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL26993708 1.00 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL170077 0.99 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL29355024 0.88 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL17739377 0.87 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL20604049 0.85 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL12891618 0.84 CYP2D6 (0.68) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL17400300 0.84 CYP2D6 (0.68) KDM4EALDH1A1HPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730197-B1 METHODS FOR INDUCING AUTOLYSIS IN INFECTIOUS BACTERIA HAPTOGEN LTD (GB) 2012-03-07 EP claimed