SCHEMBL7789528

SCHEMBL7789528

CC12CCC(=O)C=C1CCc1ccccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
CYP3A4 P08684 2/20 0.67
LMNA P02545 1/20 0.67
AR P10275 3/20 0.42
NR3C1 P04150 2/20 0.41
TP53 P04637 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
SRD5A1 P18405 1/20 0.38
CYP19A1 P11511 1/20 0.37
KDM1A O60341 1/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
HTR2A P28223 1/20 0.36
PIN1 Q13526 3/20 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
SCHEMBL9123435 1.00 ALDH1A1 (0.67) ALDH1A1CYP3A4LMNAARNR3C1
SCHEMBL6247977 0.80 ALDH1A1 (0.84) ALDH1A1CYP3A4LMNAARNR3C1
SCHEMBL9124375 0.80 ALDH1A1 (0.62) ALDH1A1CYP3A4LMNAARNR3C1
SCHEMBL6249975 0.79 ALDH1A1 (0.60) ALDH1A1CYP3A4LMNAARKDM1A
SCHEMBL2549762 0.73 ALDH1A1 (0.53) ALDH1A1CYP3A4LMNAARNR3C1
SCHEMBL2549760 0.73 ALDH1A1 (0.53) ALDH1A1CYP3A4LMNAARNR3C1
SCHEMBL2618326 0.73 ALDH1A1 (0.53) ALDH1A1CYP3A4LMNAARNR3C1
SCHEMBL20874523 0.72 NR3C1 (0.75) ALDH1A1CYP3A4LMNAARNR3C1
SCHEMBL20874524 0.72 NR3C1 (0.75) ALDH1A1CYP3A4LMNAARNR3C1
SCHEMBL10486968 0.70 ALDH1A1 (0.38) ALDH1A1CYP3A4LMNATP53SRD5A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591583-B1 Benzo (f) quinolinones as 5-alpha-reductase inhibitors LILLY CO ELI (US) 2001-12-19 EP claimed
EP-0532190-B1 Benzo(f)quinolinones as 5-alpha-reductase inhibitors LILLY CO ELI (US) 2000-12-27 EP claimed
EP-0591583-A1 Benzo (f) quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1994-04-13 EP claimed
US-5239075-A PROCESS FOR THE PREPARATION OF BENZO (F) QUINOLINONES ELI LILLY AND COMPANY (US) 1993-08-24 US claimed
EP-0532190-A2 Benzo f quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1993-03-17 EP claimed
US-4883822-A 4A-METHYL-4,4A,9,10-TETRAHYDRO-2(3H)-PHENANTHRENONE DERIVATIVE ARAKAWA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-28 US claimed
EP-0308943-A2 Agent for regulating the motional function of gastrointestinal tract ARAKAWA CHEMICAL INDUSTRIES, LIMITED (JP) 1989-03-29 EP claimed
JP-1083016-A None JP disclosed
EP-0591583-B1 Benzo (f) quinolinones as 5-alpha-reductase inhibitors LILLY CO ELI (US) 2001-12-19 EP disclosed
EP-0532190-B1 Benzo(f)quinolinones as 5-alpha-reductase inhibitors LILLY CO ELI (US) 2000-12-27 EP disclosed
US-5710163-A STEROID 5A-REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1998-01-20 US disclosed
US-5670512-A SKIN DISORDERS; REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5621104-A Substituted 3-phenanthridinone derivatives as 5-alpha-reductase inhibitors MERCK & CO., INC. (US) 1997-04-15 US disclosed
US-5239075-A PROCESS FOR THE PREPARATION OF BENZO (F) QUINOLINONES ELI LILLY AND COMPANY (US) 1993-08-24 US disclosed
EP-0532190-A2 Benzo f quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
EP-0308943-A3 AGENT FOR REGULATING THE MOTIONAL FUNCTION OF GASTROINTESTINAL TRACT ARAKAWA CHEMICAL INDUSTRIES, LIMITED (JP) 1990-07-18 EP disclosed
US-4883822-A 4A-METHYL-4,4A,9,10-TETRAHYDRO-2(3H)-PHENANTHRENONE DERIVATIVE ARAKAWA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-28 US disclosed
EP-0308943-A2 Agent for regulating the motional function of gastrointestinal tract ARAKAWA CHEMICAL INDUSTRIES, LIMITED (JP) 1989-03-29 EP disclosed
EP-0308943-A2 Agent for regulating the motional function of gastrointestinal tract ARAKAWA CHEMICAL INDUSTRIES, LIMITED (JP) 1989-03-29 EP disclosed
JP-S6483016-A REGULATOR FOR MOTILE FUNCTION OF GASTROINTESTINAL TRACT ARAKAWA CHEM IND 1989-03-28 JP disclosed