SCHEMBL24730617

SCHEMBL24730617

Cc1ccc2c(c1)oc1cc(C(C)(C)I)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ CDC25A P30304 1/20 0.39
▸ CDC25C P30307 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ NOS1 P29475 1/20 0.34
▸ PSMB8 P28062 1/20 0.34

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
SCHEMBL25490439 0.89 TSHR (0.46) MAOBALDH1A1HPGDGAACDC25A
SCHEMBL9927267 0.83 MAOB (0.53) MAOBALDH1A1HPGDGAACDC25A
SCHEMBL14985488 0.82 SMN1; SMN2 (0.38) MAOBALDH1A1HPGDGAACDC25A
SCHEMBL24617992 0.81 AHR (0.53) ALDH1A1HPGDGAAMAPTKDM4E
SCHEMBL25490441 0.80 MAPT (0.46) MAOBALDH1A1HPGDGAACDC25A
SCHEMBL15195120 0.79 MAOB (0.50) MAOBALDH1A1HPGDGAACDC25A
SCHEMBL2708072 0.77 ALDH1A1 (0.44) ALDH1A1HPGDGAAMAPTKDM4E
SCHEMBL18459291 0.76 MAOB (0.44) MAOBALDH1A1HPGDGAACDC25A
SCHEMBL10141873 0.75 MAOB (0.47) MAOBALDH1A1HPGDGAACDC25A
SCHEMBL10133853 0.75 MAOB (0.56) MAOBALDH1A1HPGDGAACDC25A

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-2022213794-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT COMPRISING SAME, AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2022-10-13 — — WO disclosed
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