SCHEMBL8629924

SCHEMBL8629924

CCOc1ccc(C(C)(C)N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.61
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KIF11 P52732 1/20 0.47
PARP10 Q53GL7 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
LTA4H P09960 2/20 0.47
ADRA2A P08913 2/20 0.46
PLK1 P53350 1/20 0.44

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
Hydrochloric Acid SCHEMBL21879623 0.98 NQO1 (0.58) NQO1TSHRTDP1LMNAMAPT
SCHEMBL28290197 0.94 NQO1 (0.54) NQO1TSHRTDP1LMNAMAPT
SCHEMBL29337533 0.83 CA12 (0.50) LMNAMAPTL3MBTL1CA12CA1
SCHEMBL20232609 0.83 LTA4H (0.50) TSHRLMNAMAPTCA12CA1
SCHEMBL13311537 0.82 NQO1 (0.67) NQO1TSHRTDP1LMNAMAPT
SCHEMBL3035998 0.82 NQO1 (0.67) NQO1TSHRTDP1MAPTKIF11
SCHEMBL799636 0.82 NQO1 (0.67) NQO1TSHRTDP1LMNAMAPT
SCHEMBL6277174 0.82 NQO1 (0.67) NQO1TSHRTDP1LMNAMAPT
SCHEMBL8237725 0.80 NQO1 (0.64) NQO1TSHRTDP1LMNAMAPT
SCHEMBL13211690 0.79 NQO1 (0.70) NQO1TSHRTDP1LMNAMAPT

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