SCHEMBL22132852

SCHEMBL22132852

COc1ccc(C(=O)c2cc3ccc(OC)c(OC)c3oc2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ PKM P14618 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ MAPT P10636 4/20 0.55
▸ HTT P42858 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CNR2 P34972 5/20 0.51
▸ MAOB P27338 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TUBB4A P04350 1/20 0.50
▸ TUBB P07437 1/20 0.50
▸ TUBA3C P0DPH7 1/20 0.50
▸ TUBA1B P68363 1/20 0.50
▸ TUBA4A P68366 1/20 0.50
▸ TUBB4B P68371 1/20 0.50

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
SCHEMBL22129765 0.89 ALDH1A1 (0.59) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL22132752 0.87 LMNA (0.62) MEN1KMT2APKMALDH1A1NPC1
SCHEMBL22132754 0.82 PKM (0.66) MEN1KMT2APKMALDH1A1NPC1
SCHEMBL30969186 0.82 PKM (0.66) MEN1KMT2APKMALDH1A1NPC1
SCHEMBL982766 0.82 CA12 (0.68) ALDH1A1KDM4EPOLBCNR2LMNA
SCHEMBL22132755 0.81 KMT2A (0.63) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL2034492 0.78 ALDH1A1 (0.85) MEN1KMT2APKMALDH1A1NPC1
SCHEMBL1406760 0.77 MAOB (0.62) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL22129769 0.77 CNR2 (0.49) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL28015513 0.75 MEN1 (1.00) MEN1KMT2APKMALDH1A1NPC1

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-2020130120-A1 CANCER METASTASIS INHIBITOR 学校法人京都薬科大学 2020-06-25 — — WO disclosed
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