SCHEMBL28855802

SCHEMBL28855802

CC(C)(CCc1ccc(S(=O)(=O)O)cc1)[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TSHR P16473 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 2/20 0.37
NT5E P21589 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
SLC13A5 Q86YT5 2/20 0.34

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
SCHEMBL658697 0.81 LMNA (0.43) ALDH1A1TSHRLMNANT5ECA2
SCHEMBL11757972 0.78 TSHR (0.55) ALDH1A1TSHRKCNJ1KCNH2
SCHEMBL11392069 0.75 ALDH1A1 (0.40) ALDH1A1TSHRLMNANT5ECA2
SCHEMBL10318595 0.75 SPHK2 (0.40) ALDH1A1TSHRLMNANT5ECA2
SCHEMBL2723128 0.74 TNNC1 (0.50) ALDH1A1KCNH2LMNACA2
SCHEMBL11583429 0.74 LMNA (0.56) ALDH1A1TSHRKCNH2LMNANT5E
SCHEMBL11118938 0.74 LMNA (0.43) ALDH1A1TSHRKCNJ1KCNH2LMNA
SCHEMBL778771 0.74 LMNA (0.43) ALDH1A1TSHRKCNH2LMNANT5E
SCHEMBL4930091 0.73 TSHR (0.61) ALDH1A1TSHRKCNJ1KCNH2CA2
SCHEMBL775755 0.71 LMNA (0.41) ALDH1A1TSHRLMNANT5ECA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105473574-B Somatostatin receptor subtype 4(SSTR4) agonists 森特克森治疗公司 2018-02-13 CN disclosed