SCHEMBL2417535

SCHEMBL2417535

COc1cccc2c1Sc1ccccc1S2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GPR84 Q9NQS5 6/20 0.43
LMNA P02545 2/20 0.42
BCHE P06276 1/20 0.42
TP53 P04637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
PTGS1 P23219 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.40
APP P05067 1/20 0.39

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
SCHEMBL32667391 1.00 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL28637871 0.94
SCHEMBL9511292 0.79 GPR84 (0.47) GPR84LMNABCHEALDH1A1TDP1
SCHEMBL30716836 0.78 ALOX5 (0.39) BCHEPTGS1TDP1MAPTALOX5
SCHEMBL9507677 0.76 TSHR (0.41) LMNAALDH1A1TSHRALOX5MAPK1
SCHEMBL2763156 0.76 CA12 (0.40) CA1CA2CA7CA9CA12
SCHEMBL9398206 0.76 NOX1 (0.53) CA1CA2CA7CA9CA12
SCHEMBL1587802 0.75 ALOX5 (0.40) LMNABCHEALOX5ENPP2
SCHEMBL38660844 0.75 ALOX5 (0.40) LMNABCHEALOX5ENPP2
SCHEMBL8582075 0.75 ALOX5 (0.37) GPR84LMNABCHEALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106619315-A Tuber fleeceflower serum for nourishing and darkening hair and preparation method thereof 张东洋 2017-05-10 CN disclosed
CN-102630858-B Compound pig feed containing Chinese herbal medicine QINGDAO HEMEI FEED CO LTD 2013-01-23 CN disclosed
CN-102630858-A Compound pig feed containing Chinese herbal medicine QINGDAO HEMEI FEED CO LTD 2012-08-15 CN disclosed
EP-2235029-B1 NICKEL COMPLEXING COMPOUNDS CONTAINING DIARYL SULFIDE LIGANDS BASF SE (DE) 2011-09-21 EP disclosed
EP-2235029-A1 NICKEL COMPLEXING COMPOUNDS CONTAINING DIARYL SULFIDE LIGANDS BASF SE (DE) 2010-10-06 EP disclosed
WO-2009083435-A1 NICKEL COMPLEXING COMPOUNDS CONTAINING DIARYL SULFIDE LIGANDS BASF SE (DE) 2009-07-09 WO disclosed