SCHEMBL29660657

SCHEMBL29660657

Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccc(OCCC(C)C)cc2OCCC(C)C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
EPHX2 P34913 1/20 0.40
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1H4 Q96RI1 2/20 0.37
GALR3 O60755 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 2/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 2/20 0.36
PDK2 Q15119 1/20 0.36
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
INPPL1 O15357 1/20 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
SCHEMBL4624717 1.00 MAPK1 (0.42) MAPK1EPHX2TP53SMN1; SMN2NR1H4
SCHEMBL7550813 0.92 MAPK1 (0.41) MAPK1EPHX2TP53SMN1; SMN2NR1H4
SCHEMBL4629642 0.87 FOS (0.36) TP53SMN1; SMN2NR1H4HTTITGB1
SCHEMBL29660692 0.87 FOS (0.36) TP53SMN1; SMN2NR1H4HTTITGB1
SCHEMBL444479 0.87 ITGB1 (0.46) TP53ITGB1ITGA4MMP13INPPL1
SCHEMBL29389044 0.87 ITGB1 (0.46) TP53ITGB1ITGA4MMP13INPPL1
SCHEMBL150337 0.85 ITGB1 (0.49) TP53ITGB1ITGA4
SCHEMBL4625245 0.84 ITGB1 (0.48) TP53ITGB1ITGA4
SCHEMBL4624645 0.84 ITGB1 (0.48) TP53ITGB1ITGA4
SCHEMBL29660598 0.84 ITGB1 (0.48) TP53ITGB1ITGA4

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-110114376-B Curable composition, method for producing cured product, cured product thereof, and adhesive using same 株式会社ADEKA 2022-06-14 CN disclosed