SCHEMBL3345332

SCHEMBL3345332

CCCCCC(=O)OC(CCOc1ccc2ccc(=O)oc2c1)CNC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
GLA P06280 2/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
NDUFS8 O00217 3/20 0.49
COXFA4 O00483 3/20 0.49
NDUFAB1 O14561 3/20 0.49
NDUFA1 O15239 3/20 0.49
NDUFS4 O43181 3/20 0.49
NDUFB5 O43674 3/20 0.49
NDUFB3 O43676 3/20 0.49
NDUFC1 O43677 3/20 0.49
NDUFA2 O43678 3/20 0.49
NDUFS5 O43920 3/20 0.49
NDUFS7 O75251 3/20 0.49
NDUFS2 O75306 3/20 0.49
NDUFS6 O75380 3/20 0.49
NDUFB1 O75438 3/20 0.49
NDUFS3 O75489 3/20 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
SCHEMBL3345492 0.86 NDUFS8 (0.53) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL13362194 0.83 KDM4E (0.61) KDM4EGLAGAAMAPTHPGD
SCHEMBL9612697 0.72 KDM4E (0.72) KDM4EGLAGAAMAPTHPGD
SCHEMBL14515225 0.69 CA12 (0.56) KDM4EGLAGAAMAPTHPGD
SCHEMBL6556990 0.69 CA12 (0.55) KDM4EHPGDNDUFS8COXFA4NDUFAB1
SCHEMBL20956873 0.69 CA12 (0.56) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL17266528 0.69 CA12 (0.56) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL30225735 0.68 KDM4E (0.67) KDM4EGLAGAAMAPTHPGD
SCHEMBL6556890 0.68 CA12 (0.54) KDM4EHPGDNDUFS8COXFA4NDUFAB1
SCHEMBL6559097 0.68 CA12 (0.54) KDM4EHPGDNDUFS8COXFA4NDUFAB1

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-2010049450-A1 Non-hydrolytic microbial probes BIOSYNTH AG (CH) 2010-05-06 WO disclosed