SCHEMBL6571602

SCHEMBL6571602

COc1ccc(CS[C](C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.67
TAAR1 Q96RJ0 1/20 0.50
APP P05067 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAOB P27338 2/20 0.46
CALM1 P0DP23 1/20 0.46
AGXT P21549 1/20 0.45
LTA4H P09960 1/20 0.45

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
SCHEMBL5028690 0.84 IDO1 (0.62) IDO1TAAR1APPSMN1; SMN2HDAC3
SCHEMBL11438278 0.82 IDO1 (0.65) IDO1TAAR1APPSMN1; SMN2ALDH1A1
SCHEMBL8488722 0.80 IDO1 (0.62) IDO1TAAR1SMN1; SMN2TP53CA1
SCHEMBL5045935 0.80 IDO1 (1.00) IDO1
Hydrochloric Acid SCHEMBL489767 0.79 IDO1 (1.00) IDO1ALDH1A1HTT
SCHEMBL22764678 0.79 IDO1 (0.61) IDO1TAAR1APPSMN1; SMN2ALDH1A1
SCHEMBL10789554 0.79 IDO1 (0.61) IDO1TAAR1SMN1; SMN2ALDH1A1CA1
SCHEMBL11438280 0.79 IDO1 (0.61) IDO1TAAR1APPSMN1; SMN2ALDH1A1
SCHEMBL31599192 0.78 IDO1 (0.60) IDO1TAAR1APPSMN1; SMN2ALDH1A1
SCHEMBL62037 0.78 IDO1 (0.59) IDO1TAAR1APPSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089963-B1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF THE PRODUCTION OF HUMAN CD23 AND OF THE TNF RELEASE SMITHKLINE BEECHAM PLC (GB) 2004-06-16 EP claimed
EP-0905126-B1 Metalloproteinase inhibitors BRITISH BIOTECH PHARM (GB) 2002-12-04 EP claimed
US-6458779-B1 TREATMENT OF CONDITIONS ASSOCIATED WITH EXCESS PRODUCTION OF SOLUBLE CD23 (S-CD23) SUCH AS AUTOIMMUNE DISEASE AND ALLERGY. THE COMPOUNDS OF THE INVENTION ARE ALSO INHIBITORS OF THE RELEASE OF TUMOUR NECROSIS FACTOR (TNF). SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-01 US claimed
EP-0740655-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-10-20 EP claimed
US-5902791-A TREATING RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, GINGIVITIS, CORNEAL ULCERATION OR TUMOR METASTASES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-05-11 US claimed
EP-0905126-A1 Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-03-31 EP claimed
EP-0740655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP claimed
WO-1995019961-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO claimed
EP-0905126-B1 Metalloproteinase inhibitors BRITISH BIOTECH PHARM (GB) 2002-12-04 EP disclosed
US-6017889-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-01-25 US disclosed
EP-0740655-B1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARM (GB) 1999-10-20 EP disclosed
US-5902791-A TREATING RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, GINGIVITIS, CORNEAL ULCERATION OR TUMOR METASTASES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-05-11 US disclosed
EP-0905126-A1 Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-03-31 EP disclosed
EP-0740655-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-11-06 EP disclosed
WO-1995019961-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1995-07-27 WO disclosed