SCHEMBL7628388

SCHEMBL7628388

CSc1ccc(CCO)cc1SC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX5 P09917 1/20 0.52
GAA P10253 1/20 0.52
BACE1 P56817 1/20 0.52
CA2 P00918 2/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
CYP4F2 P78329 5/20 0.36
CYP4A11 Q02928 5/20 0.36
ALOX15 P16050 2/20 0.34
IGF1R P08069 1/20 0.34
TSHR P16473 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL2090992 0.83 ALDH1A1 (0.38) MAPTALDH1A1CA2SLC6A2SLC6A4
SCHEMBL1575406 0.82 KDM4E (0.42) MAPTKDM4EALDH1A1ALOX5GAA
SCHEMBL7628384 0.79 BACE1 (0.32) MAPTKDM4EALDH1A1BACE1ALOX15
SCHEMBL5181634 0.79 SLC6A2 (0.31) SLC6A2SLC6A4ALOX15IGF1R
SCHEMBL5181629 0.79 MIF (0.31) ALOX15IGF1R
SCHEMBL8779815 0.78 SKP2 (0.47) KDM4EALDH1A1CA2SLC6A2SLC6A4
SCHEMBL29112953 0.76 MAPT (0.51) MAPTALDH1A1CA2TDP1TSHR
SCHEMBL11045025 0.75 MAPT (0.32) MAPTKDM4EALDH1A1GAASLC6A4
SCHEMBL7490805 0.75 IGF1R (0.39) ALOX15IGF1R
SCHEMBL11193422 0.74 SLC6A4 (0.31) MAPTKDM4EALDH1A1SLC6A4TDP1

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
US-6458908-B1 A PROCESS FOR PREPARING A SULFUR-CONTAINING UNSATURATED CARBOXYLATE COMPOUND AS CLAIMED IN CLAIM 1 COMPRISING REACTING A SULFUR-CONTAINING DERIVATIVE FOR OPTICAL POLYMERS MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
EP-1057808-A2 Sulfur-containing unsaturated carboxylate compound and its use Mitsui Chemicals, Inc. (JP) 2000-12-06 EP disclosed