SCHEMBL8230403

SCHEMBL8230403

C=CC(=O)OCC(C)OC(=O)Cl.O=C(O)Cl

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.61
HPGD P15428 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 2/20 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
SCHEMBL30589890 0.83 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL268430 0.83 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL19288954 0.82 TSHR (0.66) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8613642 0.82 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7991935 0.82 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
Ethylene SCHEMBL8565034 0.82 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL17067663 0.82 TSHR (0.70) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28359348 0.81 TSHR (0.33) TSHRALDH1A1
SCHEMBL11683339 0.81 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11785031 0.80 TSHR (0.68) TSHRHPGDALDH1A1TP53HIF1A

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
US-6136225-A USED IN OPTICAL DISPLAY DEVICES AND IN CHOLESTERIC LIQUID-CRYSTALLINE COLORANTS, PIGMENTS BASF AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed