SCHEMBL4729035

SCHEMBL4729035

CCOc1c(C(C)C)cc(C(=O)CC(=O)OC)cc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GLRA1 P23415 2/20 0.43
SRD5A2 P31213 1/20 0.39
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.37
BPTF Q12830 1/20 0.35
RARG P13631 1/20 0.35
RXRA P19793 1/20 0.35
PPARG P37231 1/20 0.35
PLK1 P53350 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL4732921 0.87 KMT2A (0.49) MEN1KMT2AALDH1A1KDM4EGLRA1
SCHEMBL4733076 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL4782911 0.77 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL8809637 0.70 GABRA1 (0.45) KMT2AALDH1A1GLRA1TSHR
SCHEMBL4673748 0.70 LMNA (0.41) MEN1KMT2AALDH1A1KDM4EGLRA1
SCHEMBL13886370 0.69 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4E
SCHEMBL9729410 0.68 KMT2A (0.76) MEN1KMT2AALDH1A1KDM4E
SCHEMBL4730730 0.68 ALDH1A1 (0.57) MEN1KMT2AALDH1A1KDM4E
SCHEMBL10212529 0.68 RXRA (0.46) GLRA1SRD5A2RARGRXRAPPARG
SCHEMBL8476886 0.68 GLRA1 (0.48) GLRA1SRD5A2TSHRRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008052288-A1 DITHIOLE COMPOUNDS AS COX INHIBITORS NEURO THERAPEUTICS LIMITED (AU) 2008-05-08 WO disclosed
WO-2008052288-A1 DITHIOLE COMPOUNDS AS COX INHIBITORS NEURO THERAPEUTICS LIMITED (AU) 2008-05-08 WO disclosed