SCHEMBL11035102

SCHEMBL11035102

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
TSHR P16473 8/20 0.40
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL9242879 0.91 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1AMAPK1
Acrylic Acid Methyl Ester SCHEMBL28209123 0.89 TSHR (0.37) ALDH1A1TSHRTP53HIF1AMAPK1
SCHEMBL517335 0.84 ALDH1A1 (0.52) ALDH1A1TSHRTP53HIF1AMAPK1
SCHEMBL4972714 0.82 ALDH1A1 (0.34) ALDH1A1TSHRTP53HIF1AMAPK1
Acrylic Acid Methyl Ester SCHEMBL28167136 0.82 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1POLBGAA
SCHEMBL17938592 0.82 ALDH1A1 (0.55) ALDH1A1TSHRTP53HIF1AMAPK1
Methacrylic Acid SCHEMBL9137100 0.81 ALDH1A1 (0.44) ALDH1A1TSHRTP53HIF1AMAPK1
SCHEMBL14110057 0.80 TSHR (0.55) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL227643 0.80 TSHR (0.47) ALDH1A1TSHRMAPK1POLBGAA
SCHEMBL15297214 0.76 ALDH1A1 (0.39) ALDH1A1TSHRTP53HIF1AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59159807-A None JP disclosed
JP-S59159807-A RESIN COMPOSITION FOR OPTICAL INFORMATION RECORDING DISC KONISHIROKU PHOTO IND CO LTD 1984-09-10 JP disclosed