SCHEMBL28650606

SCHEMBL28650606

CON=C1C[C@H](c2cccc(C(=O)OC)c2)Oc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PLA2G1B P04054 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 1/20 0.42
MAOB P27338 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL17709093 0.90 MEN1 (0.48) MEN1KMT2AUSP2ALDH1A1KDM4E
SCHEMBL17709090 0.90 MEN1 (0.48) MEN1KMT2AUSP2ALDH1A1KDM4E
SCHEMBL17709091 0.90 MEN1 (0.48) MEN1KMT2AUSP2ALDH1A1KDM4E
SCHEMBL17709186 0.89 MAOB (0.46) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL17709082 0.89 CYP19A1 (0.51) MEN1KMT2AUSP2MAOB
SCHEMBL17709184 0.89 MAOB (0.46) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL17709083 0.89 CYP19A1 (0.51) MEN1KMT2AUSP2MAOB
SCHEMBL17709084 0.89 CYP19A1 (0.51) MEN1KMT2AUSP2MAOB
SCHEMBL17709188 0.89 MAOB (0.46) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL28516061 0.88 MEN1 (0.53) MEN1KMT2AUSP2ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912617-A Substituted tricycles and methods of use 艾伯维公司 2022-01-11 CN disclosed
CN-108349930-B Substituted tricycles and methods of use 艾伯维公司 2021-10-29 CN disclosed