SCHEMBL18940872

SCHEMBL18940872

CCC1(OC(=O)/C=C/C(=O)OC2(CC)CCCC2)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.33
ATM Q13315 1/20 0.33
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSK P43235 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL18940867 1.00 HCAR2 (0.33) HCAR2ATMCTSLCTSBCTSK
SCHEMBL1402166 0.98 CTSL (0.33) HCAR2ATMCTSLCTSBCTSK
SCHEMBL1524440 0.98 CTSL (0.33) HCAR2ATMCTSLCTSBCTSK
SCHEMBL18940869 0.93 HCAR2 (0.46) HCAR2CTSLCTSBCTSK
SCHEMBL18940870 0.93 HCAR2 (0.46) HCAR2CTSLCTSBCTSK
SCHEMBL18940873 0.93 HCAR2 (0.46) HCAR2CTSLCTSBCTSK
SCHEMBL1524442 0.91 HCAR2 (0.44) HCAR2CTSLCTSBCTSK
SCHEMBL1402169 0.91 HCAR2 (0.44) HCAR2CTSLCTSBCTSK
SCHEMBL1402168 0.91 HCAR2 (0.44) HCAR2CTSLCTSBCTSK
SCHEMBL680647 0.84 TSHR (0.37)

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-9932434-B2 Nitrile group-containing copolymer rubber, cross-linkable rubber composition, and cross-linked rubber ZEON CORPORATION (JP) 2018-04-03 US disclosed
US-20170166672-A1 NITRILE GROUP-CONTAINING COPOLYMER RUBBER, CROSS-LINKABLE RUBBER COMPOSITION, AND CROSS-LINKED RUBBER ZEON CORPORATION (JP) 2017-06-15 US disclosed