SCHEMBL10700549

SCHEMBL10700549

C=C(C(=O)O)C(C)C1COC(=O)O1.C=C(CCCO)C(=O)OC(=O)C(=C)C(C)C=Cc1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL245245 0.71
Methacrylic Acid SCHEMBL6327124 0.69 PPARG (0.34)
Maleic Acid SCHEMBL7175246 0.67 HCAR2 (0.41) KDM4EALDH1A1
SCHEMBL179701 0.65 CYP1A2 (0.49) ALDH1A1
SCHEMBL7758830 0.63
SCHEMBL7042365 0.62 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7592990 0.62 PPARA (0.38) ALDH1A1
Methacrylic Acid SCHEMBL4915338 0.61 TDP1 (0.46) ALDH1A1
Butadiene SCHEMBL14976845 0.61 CYP1A2 (0.45) ALDH1A1
SCHEMBL829552 0.60 LMNA (0.40) KDM4EALDH1A1

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
EP-0272664-A2 Curable mixtures and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-29 EP disclosed