SCHEMBL11099233

SCHEMBL11099233

CCOCCOC(=O)c1sc(C(=O)OCCOCC)c(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 3/20 0.45
HSD17B10 Q99714 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.43
RAB9A P51151 2/20 0.41
SERPINE1 P05121 2/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.38
MC4R P32245 1/20 0.38
CYP1A2 P05177 1/20 0.37
GSK3B P49841 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.35
KDM4E B2RXH2 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
Protiofate SCHEMBL871311 0.82 MAPT (0.50) ALDH1A1TSHRGAAHSD17B10KMT2A
SCHEMBL1141274 0.82 GAA (0.56) ALDH1A1TSHRGAAHSD17B10KMT2A
SCHEMBL1726035 0.80 GAA (0.55) ALDH1A1TSHRGAAHSD17B10KMT2A
Lithium SCHEMBL7065338 0.80 GAA (0.55) ALDH1A1TSHRGAAHSD17B10KMT2A
Potassium SCHEMBL7063916 0.80 GAA (0.55) ALDH1A1TSHRGAAHSD17B10KMT2A
SCHEMBL11099805 0.76 HSD17B10 (0.44) ALDH1A1TSHRGAAHSD17B10KMT2A
SCHEMBL14650156 0.76 ALDH1A1 (0.51) ALDH1A1TSHRGAAHSD17B10KMT2A
SCHEMBL6206616 0.76 ALDH1A1 (0.54) ALDH1A1TSHRGAAHSD17B10KMT2A
SCHEMBL2935502 0.74 ESR1 (0.49) ALDH1A1TSHRRAB9ASMN1; SMN2POLB
SCHEMBL11399022 0.74 MC4R (0.53) ALDH1A1TSHRGAAHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0032748-A1 Thiophene derivatives UBE INDUSTRIES, LTD. (JP) 1981-07-29 EP disclosed