SCHEMBL9723293

SCHEMBL9723293

C=C(C)C(=O)OC(C)OC(C)(OOC(C)(C)c1ccccc1)OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ELANE P08246 1/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL9723358 0.78 TSHR (0.31)
SCHEMBL7691679 0.76 MAPK1 (0.41) MAPK1ALDH1A1ALOX15ELANECYP2C19
SCHEMBL16016805 0.74 MAPK1 (0.53) MAPK1ALDH1A1ALOX15CYP1A2ELANE
SCHEMBL6534770 0.74 MAPK1 (0.44) MAPK1ALDH1A1ALOX15CYP1A2CYP2D6
SCHEMBL27861873 0.73 MAPK1 (0.57) MAPK1ALDH1A1ALOX15ELANECYP2C19
Methacrylic Acid SCHEMBL27554889 0.73 MAPK1 (0.65) MAPK1ALDH1A1ALOX15CYP1A2ELANE
SCHEMBL10701135 0.71 MAPK1 (0.37) MAPK1ALDH1A1ALOX15CYP1A2CYP2D6
Methacrylic Acid SCHEMBL27561274 0.71 MAPK1 (0.63) MAPK1ALDH1A1ALOX15CYP1A2ELANE
SCHEMBL3393201 0.71 ALDH1A1 (0.48) MAPK1ALDH1A1ALOX15CYP1A2CYP2D6
SCHEMBL2772378 0.71 MAPK1 (0.42) MAPK1ALDH1A1ALOX15CYP1A2CYP2D6

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-5157070-A Engineering blends having impact strength, heat resistance, moldability, dimensional stability NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-10-20 US disclosed