SCHEMBL9220680

SCHEMBL9220680

COC(=O)C(Cc1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1)NC(=O)CNC(=O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.42
KMT2A Q03164 7/20 0.42
MEN1 O00255 4/20 0.42
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
USP30 Q70CQ3 1/20 0.39
NLRP3 Q96P20 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL9011246 0.85 MAPK1 (0.44) MAPK1KDM4EKMT2AMEN1NPC1
SCHEMBL1070071 0.83 GPR132 (0.51) MAPK1USP30
SCHEMBL9222653 0.82 LCK (0.54) MAPK1KDM4ETHRBKMT2AMEN1
SCHEMBL9011252 0.79 MAPK1 (0.71) MAPK1THRBKMT2AMEN1NPC1
SCHEMBL6371255 0.75 HDAC1 (0.46) KMT2AMEN1CYP3A4ALDH1A1NPSR1
SCHEMBL6371247 0.75 HDAC1 (0.46) KMT2AMEN1CYP3A4ALDH1A1NPSR1
SCHEMBL6371258 0.75 HDAC1 (0.46) KMT2AMEN1CYP3A4ALDH1A1NPSR1
SCHEMBL1070049 0.73 GPR132 (0.52) MAPK1
SCHEMBL1071435 0.72 GPR132 (0.54) MAPK1
SCHEMBL11859682 0.72 PTPN1 (0.52)

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-5389623-A Redox carriers for brain-specific drug delivery UNIVERSITY OF FLORIDA (US) 1995-02-14 US disclosed
US-5087618-A Antiviral, anticancer, antitumor agents UNIVERSITY OF FLORIDA (US) 1992-02-11 US disclosed
US-4829070-A PRODRUG FOR SUSTAINED RELEASE OF DOPAMINE UNIVERSITY OF FLORIDA (US) 1989-05-09 US disclosed