SCHEMBL4302445

SCHEMBL4302445

COc1ccc(CC(=N)NOC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OGG1 O15527 1/20 0.45
▸ LMNA P02545 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 3/20 0.43
▸ HPGD P15428 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ NOD2 Q9HC29 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ RIN1 Q13671 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CTSD P07339 1/20 0.40

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
SCHEMBL4302442 0.82 MAPT (0.61) LMNAMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL4302439 0.82 MAPT (0.61) LMNAMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL23094183 0.68 MAPT (0.73) LMNAMAPTSMN1; SMN2KMT2APOLB
SCHEMBL29626821 0.67 ALDH1A1 (0.62) LMNAMAPTSMN1; SMN2KMT2APOLB
SCHEMBL23094257 0.67 MAPT (0.63) LMNAMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL198282 0.67 ALDH1A1 (0.62) LMNAMAPTSMN1; SMN2KMT2APOLB
SCHEMBL21467760 0.66 HPGD (0.56) MAPTSMN1; SMN2KMT2APOLBHPGD
SCHEMBL15892681 0.66 CTSD (0.61) LMNAMAPTSMN1; SMN2KMT2APOLB
SCHEMBL5730768 0.66 CA2 (0.59) LMNAMAPTSMN1; SMN2KMT2AHPGD
SCHEMBL1033641 0.66 LMNA (0.61) LMNAMAPTSMN1; SMN2KMT2AHPGD

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
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 — — WO claimed
WO-2009131384-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING MALARIA, CONTAINING COMPOUNDS THAT INHIBIT PLASMEPSIN II ACTIVITY, AND METHOD OF TREATING MALARIA USING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-10-29 — — WO disclosed
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