SCHEMBL12643655

SCHEMBL12643655

CCOC(=O)[C@H](Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)NC(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ TDP1 Q9NUW8 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ ATM Q13315 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PPARG P37231 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ PSMB1 P20618 1/20 0.41
▸ PSMB8 P28062 1/20 0.41

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
SCHEMBL14576371 1.00 MAPT (0.51) MAPTTDP1KDM4EATML3MBTL1
SCHEMBL15834863 0.91 MAPT (0.48) MAPTTDP1KDM4EATML3MBTL1
SCHEMBL2053665 0.90 MAPT (0.51) MAPTTDP1KDM4EATML3MBTL1
SCHEMBL14617754 0.86 ATM (0.64) MAPTATML3MBTL1POLBTHRB
SCHEMBL14577322 0.86 PPARA (0.50) PPARGMEN1KMT2ATACR1
SCHEMBL12643654 0.86 PPARA (0.50) PPARGMEN1KMT2ATACR1
SCHEMBL15834853 0.85 MAPT (0.53) MAPTTDP1KDM4EATML3MBTL1
SCHEMBL12643860 0.85 MAPT (0.56) MAPTTDP1KDM4EATML3MBTL1
SCHEMBL12643651 0.84 PPID (0.58) MAPTATML3MBTL1POLBTHRB
SCHEMBL2040860 0.84 PPID (0.58) MAPTATML3MBTL1POLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901295-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-12-02 — — US disclosed
US-8802666-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-08-12 — — US disclosed
WO-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 — — WO disclosed
Send feedback