SCHEMBL26192576

SCHEMBL26192576

C=C(C)C(=O)SCc1cccc(SI)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
NOS1 P29475 1/20 0.35
IDO1 P14902 3/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HTR2C P28335 1/20 0.30
HTR6 P50406 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1801901 0.86 SLC11A2 (0.47) SLC11A2TAAR1NOS1IDO1CYP1A2
SCHEMBL331133 0.77 IDO1 (0.47) TAAR1NOS1IDO1ALDH1A1L3MBTL1
SCHEMBL26192625 0.76 TDP1 (0.33) CYP1A2ALDH1A1HPGD
SCHEMBL713087 0.75 NOS1 (0.41) TAAR1NOS1IDO1L3MBTL1
SCHEMBL1803553 0.73 CYP2C19 (0.40) SLC11A2TAAR1CYP1A2ALDH1A1HPGD
SCHEMBL26192578 0.70 ACACB (0.38) ALDH1A1SMN1; SMN2
SCHEMBL26192622 0.70 CYP2C9 (0.31) HPGDL3MBTL1
SCHEMBL1802036 0.69 ALDH1A1 (0.35) TAAR1IDO1CYP1A2ALDH1A1HPGD
SCHEMBL27472188 0.68 NOS1 (0.31) TAAR1NOS1IDO1
SCHEMBL19121619 0.68 ENPP2 (0.45) NOS1HTR2CHTR6SMN1; SMN2

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-2023162777-A1 COMPOUND, CURABLE RESIN COMPOSITION, CURED PRODUCT, DIFFRACTION OPTICAL ELEMENT, AND AUGMENTED REALITY GLASSES 富士フイルム株式会社 2023-08-31 WO disclosed