SCHEMBL3931367

SCHEMBL3931367

CC(C)CC(CCC(=O)O)C(=O)OC(=O)C(CCC(=O)O)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
CYP1A2 P05177 1/20 0.43
FOLH1 Q04609 12/20 0.43
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38

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
SCHEMBL1419634 0.86 MME (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3273833 0.86 MME (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3275556 0.86 MME (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL994043 0.85 FOLH1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16350134 0.82 FOLH1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL764175 0.82 FOLH1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2015915 0.81 FOLH1 (0.58) CYP1A2FOLH1SLC1A3SLC1A2
SCHEMBL8625056 0.79 FOLH1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28552864 0.79 KISS1R (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12693481 0.79 PLA2G10 (0.46) FOLH1PLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009004643-A2 AN IMPROVED PROCESS FOR PREPARATION OF (S)-PREGABALIN AND INTERMEDIATES THEREOF CADILA HEALTHCARE LIMITED (IN) 2009-01-08 WO disclosed
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