SCHEMBL10824909

SCHEMBL10824909

O=C(CC(S)C(=O)O)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
MMP2 P08253 3/20 0.44
MMP3 P08254 3/20 0.44
MMP9 P14780 3/20 0.44
MMP13 P45452 2/20 0.44
MMP1 P03956 1/20 0.44
MMP8 P22894 1/20 0.44
PDPK1 O15530 3/20 0.41
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9402099 0.84 TSHR (0.64) ALDH1A1HPGDTSHRKMT2AMEN1
Hydrochloric Acid SCHEMBL11113571 0.83 TSHR (0.62) ALDH1A1HPGDTSHRKMT2AMEN1
SCHEMBL11021138 0.77 ERCC5 (0.55) HPGDTSHRMMP1L3MBTL1
SCHEMBL10918888 0.76 POLB (0.55) ALDH1A1TSHRKMT2ALMNAMAPT
SCHEMBL8792913 0.75 HPGD (0.60) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL9660702 0.74 ALDH1A1 (0.67) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL4256193 0.74 SMN1; SMN2 (0.63) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL2775289 0.74 GSK3B (0.67) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL11598091 0.73 HPGD (0.67) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL316197 0.73 NR4A2 (0.68) ALDH1A1HPGDKMT2ALMNAMAPT

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
JP-61200963-A None JP disclosed
JP-S61200963-A DIPHENYL SULFIDE DERIVATIVE TAISHO PHARMACEUT CO LTD 1986-09-05 JP disclosed