SCHEMBL25021458

SCHEMBL25021458

COc1cc(C(C)=O)c(C(=O)O)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
LCK P06239 1/20 0.62
FYN P06241 1/20 0.62
CYP3A4 P08684 1/20 0.53
MYC P01106 1/20 0.51
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA6 P23280 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TPMT P51580 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL30415497 0.91 LCK (0.72) HTTLCKFYNCYP3A4MYC
SCHEMBL1417516 0.91 LCK (0.72) HTTLCKFYNCYP3A4MYC
SCHEMBL30350316 0.82 CYP3A4 (0.69) HTTLCKFYNCYP3A4KDM4E
SCHEMBL347214 0.82 LCK (0.73) HTTLCKFYNCYP3A4MYC
SCHEMBL7457674 0.82 CYP3A4 (0.69) HTTLCKFYNCYP3A4KDM4E
SCHEMBL29765241 0.82 LCK (0.73) HTTLCKFYNCYP3A4MYC
SCHEMBL2830233 0.81 LCK (0.72) HTTLCKFYNCYP3A4MYC
SCHEMBL20630769 0.81 HTT (0.68) HTTLCKFYNCYP3A4KDM4E
SCHEMBL11940936 0.81 SMN1; SMN2 (0.50) HTTKDM4EALDH1A1CA12CA1
SCHEMBL13085841 0.81 SMN1; SMN2 (0.50) HTTKDM4EALDH1A1CA12CA1

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-3985439-B1 MATERIAL FOR FORMING ORGANIC FILM, SUBSTRATE FOR MANUFACTURING SEMICONDUCTOR DEVICE, METHOD FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND FOR FORMING ORGANIC FILM SHINETSU CHEMICAL CO (JP) 2023-02-15 EP disclosed