SCHEMBL8633653

SCHEMBL8633653

CCC(C)C(=O)Oc1ccco1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 3/20 0.35
HTT P42858 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL28403676 0.87 MMP1 (0.40) MMP1MMP9MMP12ALDH1A1MAPT
SCHEMBL4223881 0.85 MMP1 (0.41) MMP1MMP9MMP12ALDH1A1MAPT
SCHEMBL538907 0.84 ALDH1A1 (0.40) MMP1MMP9MMP12ALDH1A1MAPT
SCHEMBL15670665 0.81 ALDH1A1 (0.41) MMP1MMP9MMP12ALDH1A1NPC1
SCHEMBL10708795 0.81 MMP1 (0.40) MMP1MMP9MMP12ALDH1A1NPC1
SCHEMBL5041398 0.79 MMP1 (0.44) MMP1MMP9MMP12ALDH1A1NPC1
SCHEMBL5656608 0.79 MMP1 (0.44) MMP1MMP9MMP12ALDH1A1NPC1
SCHEMBL15670569 0.77 MMP1 (0.42) MMP1MMP9MMP12ALDH1A1MAPT
SCHEMBL15670432 0.76 MMP1 (0.42) MMP1MMP9MMP12ALDH1A1KMT2A
SCHEMBL10973674 0.76 MMP1 (0.44) MMP1MMP9MMP12ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760025-A ADMINISTERING TESTOSTERONE 5A-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1998-06-02 US disclosed
US-5717088-A REACTING WITH A CYANOPHOSPHATE IN THE PRESENCE OF AN ALKALI METAL CYANIDE SANKYO COMPANY, LIMITED (JP) 1998-02-10 US disclosed
US-5698720-A INTERMEDIATES FOR TESTOSTERONE 5-ALPHA-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1997-12-16 US disclosed
EP-0567271-B1 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO CO (JP) 1997-07-02 EP disclosed
EP-0725074-A2 Compounds suitable for use as intermediates in the preparation of Androst-3,5-dien-3-carboxy derivatives SANKYO COMPANY LIMITED (JP) 1996-08-07 EP disclosed
US-5536714-A Steroid derivatives for the treatment of prostatic hypertrophy their preparation and uses SANKYO COMPANY, LIMITED (JP) 1996-07-16 US disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed