SCHEMBL9387597

SCHEMBL9387597

COC(=O)CCC(Cl)C(=S)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.46
▸ SLC1A1 P43005 1/20 0.40
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ KAT2B Q92831 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL10676780 0.79 TSHR (0.50) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL6958276 0.79 TSHR (0.50) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL10683179 0.79 TSHR (0.50) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL10682900 0.79 TSHR (0.50) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL8092036 0.79 TSHR (0.50) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL10676771 0.79 TSHR (0.50) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL11004183 0.76 TSHR (0.57) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL28793446 0.76 — —
SCHEMBL3826797 0.74 — —
SCHEMBL10956153 0.74 — —

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-6025222-A — — None — — JP disclosed
JP-H0625222-A PRODUCTION OF 3-HYDROXY-2-THIOPHENECARBOXYLIC ACID DERIVATIVE TOKUYAMA SODA CO LTD 1994-02-01 — — JP disclosed
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