SCHEMBL7376306

SCHEMBL7376306

CC(=O)c1ccc(-c2ccc(I)cc2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.44
CFD P00746 1/20 0.35
HSD11B1 P28845 4/20 0.35
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
BRD4 O60885 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HNF4A P41235 1/20 0.33
ACMSD Q8TDX5 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
SCHEMBL5757168 0.85 ALDH1A1 (0.36) HSD17B1SMN1; SMN2
SCHEMBL1483201 0.84 MAPT (0.52) HSD17B1HSD11B1AKR1C4AKR1C3AKR1C2
SCHEMBL6626508 0.82 HSD17B1 (0.44) HSD17B1MAPTSMN1; SMN2
SCHEMBL1480906 0.77 RXRA (0.44) HSD17B1CFD
SCHEMBL8103552 0.74 HPGD (0.51) HSD11B1AKR1C3AKR1C2MAPTSMN1; SMN2
SCHEMBL26930859 0.73 PTPRC (0.37) MAPTSMN1; SMN2
SCHEMBL29530881 0.72 L3MBTL1 (0.47) MAPT
SCHEMBL1312703 0.72 L3MBTL1 (0.47) MAPT
SCHEMBL13018333 0.72 HSD17B1 (0.55) HSD17B1CFDHSD11B1BRD4MAPT
SCHEMBL687914 0.71 HSD17B1 (0.46) HSD17B1MAPTSMN1; SMN2

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-0790974-B1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER AG (US) 2002-08-14 EP disclosed
US-6166082-A Substituted 5-biarylpentanoic acids and derivatives as matrix metalloprotease inhibitors BAYER CORPORATION (US) 2000-12-26 US disclosed
US-5886024-A ENZYME INHIBITOR FOR TREATING ARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA BAYER CORPORATION (US) 1999-03-23 US disclosed
US-5886022-A TREATMENT OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA BAYER CORPORATION (US) 1999-03-23 US disclosed
US-5886043-A ANTIARTHRITIC AGENTS, ANTITUMOR AGENTS, ANTIINFLAMMATORY AGENTS BAYER CORPORATION (US) 1999-03-23 US disclosed
US-5874473-A OSTEOPOROSIS; ANTIARTHRITIC AGENTS BAYER CORPORATION (US) 1999-02-23 US disclosed
US-5861428-A ALLEVIATION OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA, INFLAMMATION, OSTEOPENIAS, TEMPERO BAYER CORPORATION (US) 1999-01-19 US disclosed
US-5861427-A ALLEVIATION OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA, CONDITIONS LEADING TO INFLAMMATORY BAYER HEALTHCARE LLC 1999-01-19 US disclosed
US-5859047-A ANTIARTHRITIC AGENTS, NERVOUS SYSTEM DISORDERS BAYER CORPORATION (US) 1999-01-12 US disclosed
US-5854277-A Thiophenebutanoic acid derivatives as matrix metalloprotease inhibitors BAYER CORPORATION (US) 1998-12-29 US disclosed
US-5789434-A ACID, ESTER OR AMIDE DERIVATIVES AS ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AND REDUCTION OF CARTILAGE DETERIORATION BAYER CORPORATION (US) 1998-08-04 US disclosed
EP-0790974-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS Bayer Corporation (US) 1997-08-27 EP disclosed
WO-1996015096-A1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER CORPORATION (US) 1996-05-23 WO disclosed