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Sugi Predict / Compounds / SCHEMBL9289595

SCHEMBL9289595

SCHEMBL9289595

CCCC(CCCCCCC(=O)c1cn(CCC(CC)C(=O)O)c2ccccc12)c1ccc(CC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 5/20 0.46
▸ SRD5A2 P31213 5/20 0.46
▸ CNR2 P34972 13/20 0.43
▸ CNR1 P21554 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8959818 0.89 SRD5A1 (0.57) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8959820 0.86 SRD5A1 (0.57) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8959975 0.85 SRD5A1 (0.58) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8959531 0.85 CNR1 (0.50) SRD5A1SRD5A2CNR2CNR1L3MBTL1
SCHEMBL8959893 0.81 CNR1 (0.50) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8959720 0.80 CNR1 (0.51) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8959729 0.73 MAPT (0.57) —
SCHEMBL8959973 0.73 SRD5A1 (0.59) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8959948 0.73 SRD5A1 (0.61) SRD5A1SRD5A2CNR2CNR1
SCHEMBL8959585 0.72 PTGS1 (0.48) —

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
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 — — EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 — — WO disclosed