SCHEMBL7657072

SCHEMBL7657072

CCCC(O)CS(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.40
CA1 P00915 10/20 0.40
CA7 P43166 4/20 0.40
CA14 Q9ULX7 4/20 0.40
CA12 O43570 2/20 0.40
TP53 P04637 1/20 0.35
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL1138752 0.80 SLC22A6 (0.36) CA2CA1CA7CA14CA12
SCHEMBL6777870 0.80 SLC22A6 (0.36) CA2CA1CA7CA14CA12
SCHEMBL15754776 0.78 SLC22A6 (0.34) CA2CA1CA7CA14CA12
SCHEMBL5130601 0.77 CA2 (0.52) CA2CA1CA7CA14CA12
Silver SCHEMBL29887636 0.76 NFKB1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15754774 0.76 NFKB1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
Hydrochloric Acid SCHEMBL3349995 0.75 CA2 (0.50) CA2CA1CA7CA14CA12
SCHEMBL21124793 0.75 CA2 (0.40) CA2CA1CA7CA14CA12
SCHEMBL225628 0.75 CA2 (0.40) CA2CA1CA7CA14CA12
SCHEMBL24571314 0.73 CA2 (0.39) CA2CA1CA7CA14CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed