SCHEMBL9723290

SCHEMBL9723290

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL7691676 0.93 MAPK1 (0.38) MAPK1ALDH1A1ALOX15CYP1A2CYP2D6
SCHEMBL7692611 0.88 MAPK1 (0.40) MAPK1ALDH1A1ALOX15CYP1A2CYP2D6
Propane SCHEMBL10713290 0.84 MAPK1 (0.37) MAPK1ALDH1A1ALOX15
SCHEMBL8526018 0.83 MAPK1 (0.36) MAPK1ALDH1A1ALOX15
SCHEMBL28991761 0.81 MAPK1 (0.39) MAPK1ALDH1A1ALOX15CYP1A2CYP2D6
SCHEMBL9861992 0.81 MAPK1 (0.33) MAPK1ALDH1A1
SCHEMBL10497538 0.81 MAPK1 (0.38) MAPK1ALDH1A1ALOX15CYP1A2CYP2D6
SCHEMBL10497526 0.79 MAPK1 (0.36) MAPK1ALDH1A1ALOX15
Propane SCHEMBL10714983 0.78 MAPK1 (0.36) MAPK1ALDH1A1ALOX15
SCHEMBL9336201 0.78 MAPK1 (0.46) MAPK1ALDH1A1ALOX15

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