SCHEMBL28280259

SCHEMBL28280259

CCCCCCC(=S)N(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.50
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41

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
SCHEMBL11243952 0.84 CA12 (0.48) MGLLCA12CA1CA2CA9
SCHEMBL11778105 0.81 ALDH1A1 (0.52) MGLLCA12CA1CA2CA9
SCHEMBL10909227 0.80 CA12 (0.45) MGLLCA12CA1CA2CA9
SCHEMBL10909461 0.80 CA12 (0.45) MGLLCA12CA1CA2CA9
SCHEMBL11774443 0.80 CA12 (0.55) MGLLCA12CA1CA2CA9
SCHEMBL20458788 0.79 MGLL (0.46) MGLLCA12CA1CA2CA9
SCHEMBL28673785 0.79 CES2 (0.41) MGLLCA12CA1CA2CA9
SCHEMBL18520232 0.78 CES2 (0.44) CA12CA1CA2CA9CES2
SCHEMBL10855337 0.77 TSHR (0.56) CES2CES1GPR84PPARGPPARD
SCHEMBL11337174 0.77 TSHR (0.56) CES2CES1GPR84PPARGPPARD

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-104449462-B A kind of automobile folding adhesive that wet-hot aging performance is excellent 湖北回天新材料股份有限公司 2019-03-15 CN disclosed