SCHEMBL7561730

SCHEMBL7561730

O=C(O)CCCCCC(=O)c1ccc2c3c(oc2c1)CCCC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 4/20 0.41
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NFKB1 P19838 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7422283 0.91 KDM4E (0.48) KDM4EALDH1A1KMT2ANFKB1CYP1A2
SCHEMBL7428454 0.90 KDM4E (0.47) KDM4EALDH1A1KMT2ANFKB1CYP1A2
SCHEMBL7701525 0.80 GNG2 (0.52) KDM4EALDH1A1KMT2ANFKB1CYP1A2
SCHEMBL10187519 0.80 CYP1A2 (0.40) KDM4EALDH1A1KMT2ANFKB1CYP1A2
SCHEMBL7427640 0.79 KDM4E (0.47) KDM4EALDH1A1KMT2ANFKB1CYP1A2
SCHEMBL7427638 0.79 KDM4E (0.47) KDM4EALDH1A1KMT2ANFKB1CYP1A2
SCHEMBL10187517 0.78 KDM4E (0.39) KDM4EALDH1A1KMT2ANFKB1CYP1A2
SCHEMBL7478838 0.77 KDM4E (0.45) KDM4EALDH1A1KMT2ANFKB1CYP1A2
SCHEMBL7478843 0.77 KDM4E (0.45) KDM4EALDH1A1KMT2ANFKB1CYP1A2
SCHEMBL7697841 0.73 KDM4E (0.39) KDM4EALDH1A1KMT2ANFKB1RAB9A

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
WO-2000006560-A1 TRICYCLIC HETEROAROMATICS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed