SCHEMBL24501896

SCHEMBL24501896

CC(C)OCCCCCCCNS(=O)(=O)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.70
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.39
NPY5R Q15761 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
GRIA4 P48058 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.33
DUSP3 P51452 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
SCHEMBL19824269 0.84 GRIA1 (0.56) GRIA1ALDH1A1TSHRNPY5RGRIA4
SCHEMBL7039391 0.84 GRIA1 (1.00) GRIA1ALDH1A1NPY5RSMN1; SMN2GRIA4
SCHEMBL7042049 0.84 GRIA1 (1.00) GRIA1ALDH1A1NPY5RSMN1; SMN2GRIA4
SCHEMBL7109326 0.84 GRIA1 (1.00) GRIA1ALDH1A1NPY5RSMN1; SMN2GRIA4
SCHEMBL20734509 0.76 GRIA1 (0.83) GRIA1
SCHEMBL24735803 0.76 GRIA1 (0.83) GRIA1
SCHEMBL13959008 0.76 GRIA1 (0.83) GRIA1
SCHEMBL19824268 0.75 GRIA1 (0.46) GRIA1ALDH1A1NPY5RGRIA4
SCHEMBL13616169 0.75 ALDH1A1 (0.50) GRIA1ALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL13105698 0.75 GRIA1 (0.79) GRIA1ALDH1A1NPY5RGRIA4

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
WO-2022120355-A1 TEAD DEGRADERS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-09 WO disclosed