SCHEMBL8942686

SCHEMBL8942686

C=C(C)C(=O)OC.C=C(C)C(=O)OCCOCCCC.C=CC(=O)OCCO

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 4/20 0.46
TP53 P04637 2/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 4/20 0.46
CYP3A4 P08684 1/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ACHE P22303 1/20 0.35
EPHX2 P34913 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5049197 0.92 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7889656 0.92 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9443412 0.90 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29086839 0.90 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
Methacrylic Acid SCHEMBL16797948 0.89 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
Methacrylic Acid SCHEMBL27544199 0.89 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9319734 0.88 TSHR (0.65) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL263473 0.87 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5437346 0.87 TSHR (0.67) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28682532 0.87 TSHR (0.67) 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-5589308-A FORMING PEELABLE TRANSFER LAYER REMOVAL UPON REACTION TREATMENT ON ELECTROGRAPHIC LIGHT SENSITIVE ELEMENT, TONER IMAGES AND HEAT EXCHANGING FUJI PHOTO FILM CO., LTD. (JP) 1996-12-31 US disclosed