SCHEMBL25784288

SCHEMBL25784288

C=CC(=O)OCCC(=O)Oc1ccc(C(C)(C)CC)c(OC(=O)CCOC(=O)C=C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 4/20 0.36
ELANE P08246 2/20 0.34
ALDH1A1 P00352 6/20 0.32
KMT2A Q03164 3/20 0.32
HSD17B10 Q99714 2/20 0.32
CASP1 P29466 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
XBP1 P17861 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL24951244 0.84 THRB (0.34) TSHRHPGDTHRBELANEALDH1A1
SCHEMBL25784281 0.82 THRB (0.43) TSHRHPGDTHRBALDH1A1KMT2A
SCHEMBL22051886 0.75 HIF1A (0.42) TSHRHPGDTHRBELANEALDH1A1
SCHEMBL24952019 0.74 THRB (0.32) TSHRHPGDTHRBELANEALDH1A1
SCHEMBL27503688 0.72 THRB (0.35) TSHRTHRBELANEALDH1A1KMT2A
SCHEMBL27488681 0.72 THRB (0.35) TSHRTHRBELANEALDH1A1KMT2A
SCHEMBL25784259 0.72 TSHR (0.45) TSHRHPGDTHRBALDH1A1KMT2A
SCHEMBL12048413 0.70 RXRA (0.33) THRB
SCHEMBL18027478 0.70 THRB (0.64) TSHRHPGDTHRBALDH1A1KMT2A
SCHEMBL12592170 0.70 TSHR (0.45) TSHRHPGDTHRBALDH1A1KMT2A

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-20230217718-A1 METHOD FOR PRODUCING LIGHT-EMITTING ELEMENTS CENTRAL GLASS COMPANY, LIMITED (JP) 2023-07-06 US disclosed