SCHEMBL16270324

SCHEMBL16270324

CCOC(=O)C(Cc1cccc(O)c1)NC(=O)NCc1ccc(C)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ LCK P06239 1/20 0.54
▸ PPID Q08752 2/20 0.52
▸ NLRP3 Q96P20 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ANPEP P15144 2/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KLKB1 P03952 1/20 0.47
▸ ITGB3 P05106 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL2035741 0.91 PPID (0.64) ATML3MBTL1LCKPPIDNLRP3
SCHEMBL14617737 0.87 ATM (0.62) ATML3MBTL1LCKSMN1; SMN2ANPEP
SCHEMBL14617704 0.86 ATM (0.64) ATML3MBTL1LCKPPIDSMN1; SMN2
SCHEMBL15832185 0.83 PPID (0.65) ATML3MBTL1LCKPPIDSMN1; SMN2
SCHEMBL14617754 0.83 ATM (0.64) ATML3MBTL1LCKPPIDSMN1; SMN2
SCHEMBL12643839 0.82 ATM (0.65) ATML3MBTL1LCKPPIDNLRP3
SCHEMBL2563776 0.82 ATM (0.80) ATML3MBTL1PPIDANPEPKLKB1
SCHEMBL14617757 0.80 ATM (0.65) ATML3MBTL1LCKSMN1; SMN2ANPEP
SCHEMBL15832199 0.79 ATM (0.57) ATML3MBTL1LCKPPIDSMN1; SMN2
SCHEMBL14306569 0.78 NLRP3 (0.49) NLRP3POLBALDH1A1TP53

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
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
Send feedback