SCHEMBL28286556

SCHEMBL28286556

CC(NC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.39
ACE P12821 1/20 0.39
OPRD1 P41143 7/20 0.37
OPRM1 P35372 4/20 0.37
OPRK1 P41145 1/20 0.37
KIF11 P52732 4/20 0.37
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL17246612 0.83 KIF11 (0.42) KIF11
SCHEMBL10503169 0.82 KIF11 (0.42) KIF11
SCHEMBL9067652 0.80 GPR139 (0.57) MMEACEOPRD1OPRM1OPRK1
SCHEMBL13177607 0.77 KIF11 (0.44) KIF11
SCHEMBL17245967 0.73 KIF11 (0.43) KIF11
SCHEMBL30354947 0.73 KIF11 (0.41) KIF11
SCHEMBL15919174 0.73 KIF11 (0.41) KIF11
SCHEMBL17297661 0.73 KIF11 (0.41) KIF11
SCHEMBL16307189 0.73 KIF11 (0.48) KIF11
SCHEMBL11268023 0.72 MME (0.47) MMEACEKIF11

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-105923898-B A kind of honeycomb film column mould oxidative treatment dirt Organic substance in water equipment and its working method 徐州工程学院 2019-03-22 CN disclosed