SCHEMBL29653731

SCHEMBL29653731

CN1c2ccccc2C(C)(C)C1/C=C/c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.34
▸ MAPT P10636 4/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ TP53 P04637 3/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MTOR P42345 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13698927 1.00 APP (0.34) APPMAPTKDM4ELMNAMMP14
SCHEMBL29012247 1.00 APP (0.34) APPMAPTKDM4ELMNAMMP14
SCHEMBL14434778 0.83 APP (0.39) APPMAPTKDM4ELMNAMAPK1
SCHEMBL9812776 0.83 RELA (0.45) APPMAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL13138317 0.83 RELA (0.45) APPMAPTKDM4EMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL11791882 0.82 RELA (0.44) APPMAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL1226876 0.81 APP (0.42) APPMAPTKDM4EMAPK1TP53
SCHEMBL1226875 0.81 APP (0.42) APPMAPTKDM4EMAPK1TP53
SCHEMBL1226877 0.81 APP (0.42) APPMAPTKDM4EMAPK1TP53
Bromide SCHEMBL1227486 0.80 APP (0.41) APPMAPTKDM4EMAPK1TP53

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-114441467-A Dual-mode probe and application thereof 山东大学 2022-05-06 — — CN disclosed
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