SCHEMBL6752974

SCHEMBL6752974

O=C1CCCc2cc(CCCCn3ccnc3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HMOX1 P09601 1/20 0.51
▸ CYP19A1 P11511 1/20 0.46
▸ TBXAS1 P24557 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL6751891 0.93 HMOX1 (0.53) HMOX1CYP19A1TBXAS1
SCHEMBL4816440 0.84 TBXAS1 (0.48) HMOX1CYP19A1TBXAS1
SCHEMBL6753943 0.83 HMOX1 (0.53) HMOX1CYP19A1TBXAS1
SCHEMBL6172429 0.77 HRH3 (0.55) CYP19A1TBXAS1ALDH1A1
SCHEMBL2347295 0.76 CYP17A1 (0.60) CYP19A1TBXAS1
SCHEMBL8607698 0.76 CYP17A1 (0.71) HMOX1CYP19A1
SCHEMBL10464344 0.76 HTR1A (0.57) HMOX1CYP19A1TBXAS1
SCHEMBL12045347 0.75 HMOX1 (0.84) HMOX1CYP19A1TBXAS1
SCHEMBL6752923 0.74 ALDH1A1 (0.45) TBXAS1ALDH1A1GAAALOX15
SCHEMBL4823867 0.74 TBXAS1 (0.48) HMOX1CYP19A1TBXAS1

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
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