SCHEMBL19906137

SCHEMBL19906137

COc1ncc(-c2ccc(-c3nc4cc(C)c(CC(=O)O)c(-c5ccc(Cl)cc5OC(C)(C)C)c4s3)cc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
EIF4E P06730 1/20 0.36
PPARD Q03181 4/20 0.34
CTSA P10619 7/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19906060 0.94 KDM4E (0.38) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906229 0.91 EIF4E (0.36) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906139 0.88 PTGDR2 (0.43) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906046 0.87 EIF4E (0.38) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906086 0.86 KDM4E (0.39) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906268 0.84 EIF4E (0.38) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906157 0.84 KDM4E (0.38) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906119 0.83 PTGDR2 (0.39) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19905892 0.83 PTGDR2 (0.37) PTGDR2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL19906369 0.83 KDM4E (0.38) PTGDR2KDM4EMEN1ALDH1A1KMT2A

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-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed