SCHEMBL21755787

SCHEMBL21755787

Oc1ccc(CCOc2ccc(-c3ccc(OCCc4ccc(O)cc4)c(C(c4cc(-c5ccc(OCCc6ccc(O)cc6)cc5)ccc4OCCc4ccc(O)cc4)c4cc(I)cc(I)c4OCCc4ccc(O)cc4)c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
TAAR5 O14804 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CHEK1 O14757 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
EGFR P00533 2/20 0.33
IGF1R P08069 2/20 0.33
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33
MGAM O43451 3/20 0.32
GAA P10253 3/20 0.32
SI P14410 3/20 0.32

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
SCHEMBL23960177 0.96 TAAR5 (0.34) APPTAAR5TAAR1CHEK1CA12
SCHEMBL21755786 0.87 CYP3A4 (0.35) MGAMGAASIMGAM2
SCHEMBL21755789 0.79
SCHEMBL21755785 0.76 PCNA (0.38) TAAR5TAAR1
SCHEMBL21755782 0.75
SCHEMBL21755807 0.75 APP (0.35) APP
SCHEMBL21755802 0.73 MGAM (0.36) CA12CA1CA7CA9MGAM
SCHEMBL23960178 0.71 APP (0.33) APPEGFRIGF1RFLT4KDR
SCHEMBL23960139 0.71 TDP1 (0.37) GAA
SCHEMBL21755788 0.71 TDP1 (0.37) GAA

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
WO-2020040162-A1 COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM 三菱瓦斯化学株式会社 2020-02-27 WO disclosed