SCHEMBL6526599

SCHEMBL6526599

COc1c(OC(C)=O)[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
ADK P55263 2/20 0.56
SLC22A6 Q4U2R8 1/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
PPARG P37231 1/20 0.47
KMT2A Q03164 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NR4A2 P43354 2/20 0.46
TUBB4A P04350 5/20 0.45
TUBB P07437 5/20 0.45
TUBA3C P0DPH7 5/20 0.45
TUBA1B P68363 5/20 0.45
TUBA4A P68366 5/20 0.45
TUBB4B P68371 5/20 0.45

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
SCHEMBL6471859 0.90 GSK3B (0.59) GSK3BADKSLC22A6KDM4EALDH1A1
SCHEMBL3839795 0.87 KDM4E (0.53) GSK3BADKKDM4EALDH1A1SMN1; SMN2
SCHEMBL9573791 0.82 TUBB4A (0.46) GSK3BADKKDM4EALDH1A1SMN1; SMN2
SCHEMBL4208427 0.82 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HPGDALOX12
SCHEMBL13689695 0.81 USP2 (0.53) GSK3BADKSLC22A6KDM4EALDH1A1
SCHEMBL8705925 0.80 SLC22A6 (0.53) GSK3BADKSLC22A6KDM4EALDH1A1
SCHEMBL30681851 0.80 SLC22A6 (0.53) GSK3BADKSLC22A6KDM4EALDH1A1
SCHEMBL11186265 0.80 KMT2A (0.55) GSK3BADKKDM4EALDH1A1USP2
SCHEMBL8087797 0.79 GSK3B (0.63) GSK3BADKSLC22A6KDM4EALDH1A1
SCHEMBL8809770 0.79 NR4A2 (0.49) GSK3BADKKDM4EALDH1A1HPGD

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-2005026216-A1 PROCESS FOR THE PRODUCTION OF THIN FILMS OF MELANIN AND MELANIN-LIKE MOLECULES BY ELECTROSYNTHESIS THE UNIVERSITY OF QUEENSLAND (AU) 2005-03-24 WO claimed
WO-2005026216-A1 PROCESS FOR THE PRODUCTION OF THIN FILMS OF MELANIN AND MELANIN-LIKE MOLECULES BY ELECTROSYNTHESIS THE UNIVERSITY OF QUEENSLAND (AU) 2005-03-24 WO disclosed