SCHEMBL28088248

SCHEMBL28088248

CCCCCCCCCCCCCOC(=O)C(N)CSSCC(N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.51
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
TSHR P16473 2/20 0.44
NAAA Q02083 1/20 0.43
P2RY10 O00398 4/20 0.43
GPR34 Q9UPC5 2/20 0.43
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
EPHX1 P07099 1/20 0.41
HTR2C P28335 1/20 0.40

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
SCHEMBL28088246 1.00 NOD1 (0.51) NOD1GRIK1GRIK2TSHRNAAA
SCHEMBL5168757 0.94 NOD1 (0.44) NOD1GRIK1GRIK2TSHRP2RY10
SCHEMBL6574312 0.94 NOD1 (0.44) NOD1GRIK1GRIK2TSHRP2RY10
SCHEMBL6574319 0.94 NOD1 (0.44) NOD1GRIK1GRIK2TSHRP2RY10
SCHEMBL109807 0.94 TSHR (0.49) NOD1TSHRNAAAHCAR2EPHX1
SCHEMBL109803 0.94 TSHR (0.49) NOD1TSHRNAAAHCAR2EPHX1
SCHEMBL109804 0.94 TSHR (0.49) NOD1TSHRNAAAHCAR2EPHX1
SCHEMBL111055 0.94 TSHR (0.49) NOD1TSHRNAAAHCAR2EPHX1
SCHEMBL112301 0.94 TSHR (0.49) NOD1TSHRNAAAHCAR2EPHX1
SCHEMBL109805 0.94 TSHR (0.49) NOD1TSHRNAAAHCAR2EPHX1

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-105820138-A ABT-263 crystalline forms and solvates for use in treating BCL-2 protein related diseases ABBVIE 公司 2016-08-03 CN disclosed