SCHEMBL7470086

SCHEMBL7470086

C=CC(=O)OS(=O)(=O)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.42
ESR1 P03372 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR2 Q92731 2/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.40
ALDH1A1 P00352 2/20 0.38
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
KAT6A Q92794 1/20 0.35
CASP1 P29466 2/20 0.35
THRB P10828 1/20 0.35
ACHE P22303 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
SCHEMBL27738550 0.85 POLB (0.43) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL29625173 0.81 THRB (0.36) POLBMEN1ESR1KMT2AESR2
SCHEMBL15404492 0.80 POLB (0.54) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL28013355 0.80 THRB (0.40) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9302812 0.79 THRB (0.49) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL6182656 0.79 POLB (0.53) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL5172344 0.78 CA1 (0.46) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL9364060 0.77 POLB (0.48) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL31148931 0.77 POLB (0.48) POLBCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL3182778 0.76 ALDH1A1 (0.42) POLBCYP1A2CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703221-B1 5 alpha-reductase Inhibitors LILLY CO ELI (US) 2002-03-27 EP disclosed
US-5670514-A BENZOQUINOLIN-3-ONE ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5635197-A BENZO(F)QUINOLIN-3-ONES; ANTICARCINOGENIC AGENTS; BONE DISORDERS ELI LILLY AND COMPANY (US) 1997-06-03 US disclosed
US-5629007-A USING BENZOQUINOLIN-3-ONE DERIVATIVES ELI LILLY AND COMPANY (US) 1997-05-13 US disclosed
US-5622961-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5622962-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5578724-A INHIBITORS OF 5-ALPHA-REDUCTASE ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
WO-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO disclosed
EP-0742010-A2 Benzoquinolin-3-ones to inhibit bone loss ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0733365-A2 Use of benzoquinolin-3-ones for the treatment and prevention of prostatic cancer ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
US-5550134-A ADMINISTERING TO A MAMMAL FROM A SERIES OF BENZOQUINOLIN-3-ONE COMPOUNDS ELI LILLY AND COMPANY (US) 1996-08-27 US disclosed
WO-1996009046-A1 5α-REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1996-03-28 WO disclosed
EP-0703221-A1 5 alpha-reductase Inhibitors ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed