SCHEMBL9853301

SCHEMBL9853301

C=CC(=O)OCCOC(C)(Cl)Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 4/20 0.55
TP53 P04637 3/20 0.55
HIF1A Q16665 3/20 0.55
HSD17B10 Q99714 1/20 0.55
THRB P10828 3/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.31

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
SCHEMBL5719576 0.84 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13668895 0.84 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1341004 0.81 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL17772910 0.79 TSHR (0.64) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL16255501 0.79 TSHR (0.53) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL22540974 0.79 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL16681896 0.79 THRB (0.57) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL93462 0.78 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL30604742 0.78 TSHR (0.84) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL33527760 0.78 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0426043-A2 Silver halide color photographic material and method for forming color image Fuji Photo Film Co., Ltd. (JP) 1991-05-08 EP disclosed