SCHEMBL28933239

SCHEMBL28933239

CCCCCCCCCCCCCCCCCCNCCCCCCOP(O)N(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
S1PR2 O95136 5/20 0.37
S1PR4 O95977 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 5/20 0.37
S1PR5 Q9H228 1/20 0.37
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
RELA Q04206 4/20 0.34
ESR1 P03372 5/20 0.33
SPHK1 Q9NYA1 1/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33

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
SCHEMBL20582043 0.84 HTT (0.43) TSHRSPHK1
SCHEMBL3634744 0.83 TSHR (0.32) ALDH1A1TSHRCA1CA2SPHK1
SCHEMBL7121852 0.78 ALDH1A1 (0.52) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL22117615 0.77 KMT2A (0.43) ALDH1A1TSHRESR1
SCHEMBL9319730 0.75 ALDH1A1 (0.48) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL27988192 0.74 ALDH1A1 (0.52) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL18817977 0.72 SPHK1 (0.37) TSHRCA1CA2SPHK1
SCHEMBL21178019 0.72 SPHK1 (0.37) TSHRCA1CA2SPHK1
SCHEMBL20709888 0.72 SPHK1 (0.37) TSHRCA1CA2SPHK1
SCHEMBL31465182 0.72 SPHK1 (0.37) TSHRCA1CA2SPHK1

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-114026234-A Antisense oligonucleotides altering DUX4pre-mRNA splicing 第一三共株式会社 2022-02-08 CN disclosed