SCHEMBL6752923

SCHEMBL6752923

O=C1CCCc2sc(CCCCn3ccnc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ TBXAS1 P24557 4/20 0.45
▸ QPCT Q16769 4/20 0.43
▸ ALOX15 P16050 1/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL6748497 0.77 TBXAS1 (0.46) ALDH1A1GAATBXAS1
SCHEMBL6752974 0.74 HMOX1 (0.51) ALDH1A1GAATBXAS1ALOX15
SCHEMBL6753943 0.69 HMOX1 (0.53) TBXAS1
SCHEMBL6751891 0.69 HMOX1 (0.53) TBXAS1
SCHEMBL10447626 0.66 POLB (0.39) ALDH1A1GAA
SCHEMBL2353117 0.66 CYP17A1 (0.40) TBXAS1
SCHEMBL17525566 0.66 QPCT (0.61) ALDH1A1TBXAS1QPCTKDM4E
SCHEMBL937596 0.65 TBXAS1 (0.95) TBXAS1
SCHEMBL6719460 0.64 POLB (0.39) ALDH1A1GAA
SCHEMBL1493158 0.64 TBXAS1 (0.75) TBXAS1

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-2002083240-A9 AROMATASE INHIBITION TO ENHANCE ASSISTED REPRODUCTION ARES TRADING SA (CH) 2004-05-06 — — WO disclosed
Send feedback