SCHEMBL11118422

SCHEMBL11118422

COC(=O)c1sc(C(=O)OC)c(OC(C)=O)c1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
HPGD P15428 4/20 0.47
POLB P06746 1/20 0.45
MAPT P10636 5/20 0.42
TSHR P16473 4/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL11118424 0.91 ALDH1A1 (0.44) ALDH1A1HPGDPOLBMAPTTSHR
SCHEMBL9368306 0.82 ALDH1A1 (0.51) ALDH1A1HPGDMAPTTSHRKMT2A
SCHEMBL2809243 0.80 MAPT (0.56) ALDH1A1HPGDMAPTTSHRKMT2A
SCHEMBL10923965 0.77 ALDH1A1 (0.41) ALDH1A1HPGDPOLBTSHRHSD17B10
SCHEMBL11033584 0.74 MAPT (0.40) ALDH1A1HPGDMAPTTSHRKMT2A
SCHEMBL6836069 0.73 KMT2A (0.54) ALDH1A1HPGDPOLBMAPTTSHR
SCHEMBL9367309 0.72 ALDH1A1 (0.49) ALDH1A1HPGDMAPTTSHRKMT2A
SCHEMBL28659567 0.71 POLB (0.57) ALDH1A1HPGDPOLBMAPTKMT2A
SCHEMBL17149278 0.71 LMNA (0.44) ALDH1A1HPGDPOLBMAPTKMT2A
SCHEMBL15698894 0.70 LMNA (0.63) ALDH1A1HPGDMAPTTSHRKMT2A

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-59155380-A None JP disclosed
JP-S59155380-A THIOPHENE DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE UBE IND LTD 1984-09-04 JP disclosed