SCHEMBL20922444

SCHEMBL20922444

CNc1sc(C)c(C)c1C(=O)OC1CCOC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KDM4E B2RXH2 7/20 0.41
▸ CNR2 P34972 1/20 0.38
▸ PFKFB3 Q16875 1/20 0.38
▸ PFKFB4 Q16877 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ABCC1 P33527 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL7825608 0.68 ALDH1A1 (0.61) ALDH1A1MAPK1KDM4ECNR2MAPT
SCHEMBL3999275 0.66 CTSL (0.38) —
SCHEMBL3839876 0.66 CTSL (0.38) —
SCHEMBL25394555 0.66 CTSL (0.38) —
SCHEMBL5986407 0.66 KAT2B (0.40) MAPK1LMNA
SCHEMBL13769143 0.66 KAT2B (0.40) MAPK1LMNA
SCHEMBL14191229 0.65 ALDH1A1 (0.47) ALDH1A1MAPK1KDM4EMAPTHPGD
SCHEMBL18670620 0.65 SCN1A (0.57) ALDH1A1PFKFB3PFKFB4MAPTTDP1
SCHEMBL7055943 0.64 PDE4D (0.38) —
SCHEMBL2603677 0.63 — —

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
EP-3131890-B1 COMPOUNDS FOR TREATING VIRAL INFECTIONS PASTEUR INSTITUT KOREA (KR) 2019-04-24 — — EP disclosed
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