SCHEMBL7600176

SCHEMBL7600176

C[C](C)SCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
EPHX1 P07099 3/20 0.37
SIGMAR1 Q99720 3/20 0.34
ACHE P22303 1/20 0.31
CHRM5 P08912 2/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
DAO P14920 1/20 0.31
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL5641934 0.81 EPHX1 (0.43) EPHX1HPGDKMT2AALOX5
Ammonia Solution, Strong SCHEMBL7435862 0.76 ACE (0.39) EPHX1HPGDKMT2AALOX5
SCHEMBL11451288 0.75 EPHX1 (0.37) CYP1A2EPHX1CHRM5ADRA2CCHRM2
SCHEMBL21745876 0.73 EPHX1 (0.33) EPHX1
SCHEMBL11451289 0.71 EPHX1 (0.35) EPHX1
SCHEMBL3762817 0.71 EPHX1 (0.43) CYP1A2EPHX1ALOX5
SCHEMBL7737936 0.70 CYP1A2 (0.40) CYP1A2EPHX1SIGMAR1ACHECHRM5
SCHEMBL22823958 0.70
SCHEMBL87744 0.70
SCHEMBL1145461 0.70 CYP1A2 (0.40) CYP1A2EPHX1SIGMAR1ACHECHRM5

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-0905126-B1 Metalloproteinase inhibitors BRITISH BIOTECH PHARM (GB) 2002-12-04 EP 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
EP-0861226-B1 SYNTHESIS OF CARBOXYLIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2000-02-23 EP disclosed
US-6017889-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-01-25 US disclosed
US-5986132-A Synthesis of carboxylic acid derivatives BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 1999-11-16 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