SCHEMBL11101577

SCHEMBL11101577

COC(=O)c1sc(C(=O)c2ccccc2)c(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 5/20 0.51
LMNA P02545 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAOB P27338 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
HPGD P15428 4/20 0.46
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RAB9A P51151 3/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL11103886 0.86 ALDH1A1 (0.56) TSHRALDH1A1LMNAL3MBTL1MEN1
SCHEMBL11098717 0.83 ALDH1A1 (0.51) TSHRALDH1A1LMNAHTTMEN1
SCHEMBL1086028 0.80 KMT2A (0.56) TSHRALDH1A1LMNAL3MBTL1MEN1
SCHEMBL1720659 0.78 KMT2A (0.54) TSHRALDH1A1LMNAL3MBTL1MEN1
SCHEMBL9826124 0.77 TRPM8 (0.55) TSHRALDH1A1LMNAL3MBTL1HTT
SCHEMBL1086031 0.76 MAPT (0.48) TSHRALDH1A1LMNAL3MBTL1MEN1
Benzophenone SCHEMBL27524744 0.74 TSHR (0.86) TSHRALDH1A1LMNAL3MBTL1MEN1
SCHEMBL695012 0.72 TSHR (0.83) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL68469 0.72 PLA2G1B (0.60) TSHRALDH1A1LMNAHTTMEN1
Methyl Benzoate SCHEMBL1867855 0.71 TSHR (1.00) TSHRALDH1A1LMNAL3MBTL1MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57116065-A None JP disclosed
EP-0032748-B1 THIOPHENE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1984-08-01 EP disclosed
US-4421761-A FUNGICIDES HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 1983-12-20 US disclosed
JP-S57116065-A THIOPHENE DERIVATIVE AND AGRICULTURAL AND GARDENING FUNGICIDE HOKKO CHEM IND CO LTD 1982-07-19 JP disclosed
EP-0032748-A1 Thiophene derivatives UBE INDUSTRIES, LTD. (JP) 1981-07-29 EP disclosed