SCHEMBL5069636

SCHEMBL5069636

OC[C@@H](CS)SCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.39
CPA3 P15088 1/20 0.39
FOLH1 Q04609 1/20 0.39
IDO1 P14902 4/20 0.38
ANPEP P15144 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
TSHR P16473 1/20 0.38
TRPA1 O75762 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL14031967 0.87 CYP2C19 (0.42) ACEIDO1NOS3NOS1NOS2
SCHEMBL9854867 0.78 IDO1 (0.40) IDO1NOS3NOS1NOS2TSHR
SCHEMBL9854869 0.78 IDO1 (0.40) IDO1NOS3NOS1NOS2TSHR
SCHEMBL9855215 0.78 IDO1 (0.40) IDO1NOS3NOS1NOS2TSHR
SCHEMBL9574339 0.74 TSHR (0.42) IDO1NOS3NOS1NOS2TSHR
SCHEMBL8896900 0.72 L3MBTL1 (0.45) NPSR1
SCHEMBL28443386 0.69 ANPEP (0.52) ACECPA3FOLH1IDO1ANPEP
SCHEMBL14284904 0.69 TRPA1 (0.50) IDO1NOS3NOS1NOS2TSHR
SCHEMBL6831682 0.69 TRPA1 (0.55) IDO1NOS3NOS1NOS2TSHR
SCHEMBL7806255 0.68 IDO1 (0.47) IDO1

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-7442758-B2 Polymer that has in its side chain a structure capable of intramolecularly forming a disulfide bond; low temperature operation, large capacities; for example 5-hydroxy-1,2-dithian-4-yl acrylate; cathode material SENSA CORPORATION (JP) 2008-10-28 US disclosed
US-20050142441-A1 Polymer that has in its side chain a structure capable of intramolecularly forming a disulfide bond; low temperature operation, large capacities; for example 5-hydroxy-1,2-dithian-4-yl acrylate; cathode material POLYTHIONE CO., LTD. (JP) 2005-06-30 US disclosed