SCHEMBL9543319

SCHEMBL9543319

C=CC(=O)Oc1ccccc1[S+](C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.49
THRA P10827 1/20 0.49
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 2/20 0.39
TYMS P04818 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
ATM Q13315 1/20 0.36
MAP3K7 O43318 3/20 0.34
MAPK1 P28482 3/20 0.34
MAP2K1 Q02750 2/20 0.34
LIG1 P18858 1/20 0.33
AKT1 P31749 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HMGB1 P09429 1/20 0.33
TSHR P16473 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
SCHEMBL3841280 0.81 THRB (0.56) THRBTHRAKDM4EHPGDHSD17B10
SCHEMBL29413361 0.81 THRB (0.56) THRBTHRAKDM4EHPGDHSD17B10
SCHEMBL501365 0.80 THRB (0.43) THRBTHRAKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL4411919 0.80 TYMS (0.45) THRBTHRAHSD17B10TYMSMAPK1
SCHEMBL10434602 0.80 HSD17B10 (0.43) KDM4EHPGDHSD17B10MAPTTDP1
SCHEMBL30438185 0.79 TDP1 (0.58) THRBTHRAKDM4EHPGDHSD17B10
SCHEMBL34006 0.79 TDP1 (0.58) THRBTHRAKDM4EHPGDHSD17B10
SCHEMBL29999157 0.77 THRA (0.53) THRBTHRAKDM4EMAPTTDP1
SCHEMBL5604717 0.77 THRB (0.53) THRBTHRAKDM4EHPGDHSD17B10
SCHEMBL2235806 0.77 THRA (0.53) THRBTHRAKDM4EMAPTTDP1

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-5043714-A None JP disclosed
JP-H0543714-A FILM SANSHIN CHEM IND CO LTD 1993-02-23 JP disclosed