SCHEMBL3931368

SCHEMBL3931368

CC(C)CC1CCC(=O)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 2/20 0.32
MME P08473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL16012060 0.84 CA1 (0.34) CA1CA9TSHRALDH1A1
SCHEMBL5870408 0.80 ALDH1A1 (0.42) TSHRMMEALDH1A1
SCHEMBL8507193 0.80 ALDH1A1 (0.42) TSHRMMEALDH1A1
SCHEMBL299523 0.80 ALDH1A1 (0.42) TSHRMMEALDH1A1
SCHEMBL8625060 0.78 CA1 (0.37) CA1CA9TSHRALDH1A1
SCHEMBL2166841 0.74 CYP1A2 (0.41) CA1CA9TSHRALDH1A1
SCHEMBL28762173 0.74 TSHR (0.36) CA1CA9TSHRALDH1A1
SCHEMBL19746245 0.73 ALDH1A1 (0.38) TSHRMMEALDH1A1
SCHEMBL2690043 0.73
SCHEMBL13201835 0.72 KCNH3 (0.34) MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017019791-A1 SYNTHESIS OF (S)-PREGABALIN TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2017-02-02 WO claimed
EP-3046970-B1 LAUNDRY CARE COMPOSITIONS CONTAINING THIOPHENE AZO CARBOXYLATE DYES MILLIKEN & CO (US) 2018-11-07 EP disclosed
US-20180134995-A1 Laundry Care Compositions Containing Dyes MILLIKEN & COMPANY 2018-05-17 US disclosed
EP-3047010-B1 LAUNDRY CARE COMPOSITIONS CONTAINING THIOPHENE AZO CARBOXYLATE DYES PROCTER & GAMBLE (US) 2018-05-09 EP disclosed
US-20170137629-A1 Laundry Care Compositions Containing Dyes MILLIKEN & COMPANY 2017-05-18 US disclosed
WO-2017019791-A1 SYNTHESIS OF (S)-PREGABALIN TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2017-02-02 WO disclosed
US-20160257912-A1 LAUNDRY CARE COMPOSITIONS CONTAINING DYES PROCTER & GAMBLE (US) 2016-09-08 US disclosed
EP-3046970-A1 LAUNDRY CARE COMPOSITIONS CONTAINING THIOPHENE AZO CARBOXYLATE DYES Milliken & Company (US) 2016-07-27 EP disclosed
EP-3047010-A1 LAUNDRY CARE COMPOSITIONS CONTAINING THIOPHENE AZO CARBOXYLATE DYES The Procter & Gamble Company (US) 2016-07-27 EP disclosed
US-9371507-B2 Laundry care compositions containing dyes THE PROCTER & GAMBLE COMPANY (US) 2016-06-21 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-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