SCHEMBL28343377

SCHEMBL28343377

C=CC(=O)OCCC(Cl)CCC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.56
HPGD P15428 1/20 0.56
ALDH1A1 P00352 5/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 4/20 0.44
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.37
HCAR2 Q8TDS4 4/20 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
SCHEMBL11805799 0.81 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27821518 0.80 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1899131 0.80 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL641953 0.80 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27800523 0.80 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28072366 0.79 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10714314 0.79 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4373216 0.79 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11320347 0.77 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL709412 0.77 TSHR (0.54) 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
CN-110620185-A Organic light emitting device 三星显示有限公司 2019-12-27 CN disclosed