SCHEMBL7796330

SCHEMBL7796330

CC1(C)CC(=O)Cc2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.47
AHR P35869 1/20 0.47
TDP2 O95551 3/20 0.45
BRD4 O60885 1/20 0.39
METAP1 P53582 1/20 0.39
PDE4B Q07343 1/20 0.36
PGR P06401 1/20 0.35
BACE1 P56817 4/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
APP P05067 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL8370875 0.88 TDP2 (0.47) CMA1AHRTDP2BRD4METAP1
SCHEMBL9418949 0.84 CMA1 (0.42) CMA1AHRTDP2BRD4METAP1
SCHEMBL9418964 0.81 CMA1 (0.42) CMA1AHRTDP2BRD4METAP1
SCHEMBL28103402 0.77 CMA1 (0.42) CMA1AHRTDP2BRD4METAP1
SCHEMBL7154577 0.76 METAP1 (0.45) TDP2METAP1ALDH1A1
SCHEMBL9419023 0.76 TDP2 (0.42) CMA1AHRTDP2BRD4METAP1
SCHEMBL1871781 0.76 HTR2A (0.50) AHRTDP2ALDH1A1
SCHEMBL17808124 0.73 CMA1 (0.44) CMA1AHRTDP2BRD4METAP1
SCHEMBL3361527 0.73 PGR (0.55) CMA1AHRTDP2METAP1PDE4B
SCHEMBL9418969 0.72 CMA1 (0.35) CMA1AHRTDP2ALDH1A1

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 18 patents. 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 disclosed
EP-0532190-B1 Benzo(f)quinolinones as 5-alpha-reductase inhibitors LILLY CO ELI (US) 2000-12-27 EP disclosed
EP-0591582-B1 Hexahydrobenzo (f) quinolinones as 5-alpha-reductase inhibitors LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0531026-B1 Hexahydrobenzo[f]quinolinones as 5-alpha-reductase inhibitors LILLY CO ELI (US) 1998-11-18 EP disclosed
CN-1039320-C Process for preparing hexahydro-and octahydro-benzo [ f ] quinolinones and optical isomers thereof LILLY CO ELI (US) 1998-07-29 CN 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-5541190-A TREATING BENIGN PROSTATIC HYPERPLASIA, MALE PATTERN BALDNESS, PROSTATIC CANCER, ANDROGENIC ALOPECIA ELI LILLY AND COMPANY (US) 1996-07-30 US disclosed
US-5495021-A STEROID 5 ALPHA-REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-27 US disclosed
US-5334767-A Steroid 5a-reductase inhibitor ELI LILLY AND COMPANY (US) 1994-08-02 US disclosed
EP-0591583-A1 Benzo (f) quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1994-04-13 EP disclosed
EP-0591582-A1 Hexahydrobenzo (f) quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1994-04-13 EP disclosed
US-5250539-A 5-alpha reductase inhibitors; administer as therapy for benign prostatic hyperplasia, hirsutism and acne ELI LILLY AND COMPANY (US) 1993-10-05 US disclosed
US-5239075-A PROCESS FOR THE PREPARATION OF BENZO (F) QUINOLINONES ELI LILLY AND COMPANY (US) 1993-08-24 US disclosed
CN-1071418-A Benzo [ f ] quinolinones LILLY CO ELI (US) 1993-04-28 CN disclosed
EP-0532190-A2 Benzo f quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
EP-0531026-A1 Hexahydrobenzo[f]quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1993-03-10 EP disclosed
CN-1069488-A Hexahydrobenzene is [f] quinolinone also LILLY CO ELI (US) 1993-03-03 CN disclosed