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SCHEMBL8523618

SCHEMBL8523618

CC(=O)Nc1ccc(OC2C(C)[C@@H]3[C@@H](CC[C@]4(C)CCC[C@@H]34)[C@@]3(C)CCC(=O)N(C)C23)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC9A3 P48764 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KDM4A O75164 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SRD5A1 P18405 2/20 0.31
▸ AADAT Q8N5Z0 1/20 0.31

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
SCHEMBL8523088 0.90 SRD5A1 (0.36) MEN1KMT2ASRD5A1
SCHEMBL8523662 0.87 STS (0.30) SRD5A1
SCHEMBL8996733 0.87 STS (0.30) SRD5A1
SCHEMBL8523449 0.86 SRD5A1 (0.33) SRD5A1
SCHEMBL8523677 0.86 STS (0.32) —
SCHEMBL8522770 0.86 PLA2G7 (0.33) SRD5A1
SCHEMBL8524254 0.84 EPHX2 (0.30) —
SCHEMBL8523590 0.84 MMP12 (0.33) SRD5A1
SCHEMBL8523319 0.84 MMP12 (0.32) —
SCHEMBL8996751 0.84 SRD5A1 (0.36) POLBRECQLSMN1; SMN2ALDH1A1KDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 — — EP claimed
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 — — EP claimed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 — — EP claimed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 — — EP claimed
EP-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 — — EP claimed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 — — WO claimed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 — — WO claimed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 — — WO claimed
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 — — EP disclosed
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 — — EP disclosed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 — — EP disclosed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 — — EP disclosed
EP-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 — — EP disclosed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 — — WO disclosed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 — — WO disclosed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 — — WO disclosed