SCHEMBL7761162

SCHEMBL7761162

COc1ccc2[nH]c(C)c(CC(=O)OCCCO)c2c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.39
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 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
SCHEMBL4691290 0.86 PTGS1 (0.44) PTGS2POLBMAPTTP53HPGD
SCHEMBL5809569 0.86 PTGS2 (0.48) PTGS2POLBMAPTKMT2AMEN1
SCHEMBL4694469 0.84 PTGS2 (0.37) PTGS2POLBMAPTTP53HPGD
SCHEMBL5805773 0.84 PTGS2 (0.47) PTGS2POLBMAPTL3MBTL1KMT2A
SCHEMBL5806535 0.84 POLB (0.41) POLBMAPTTSHRHPGDCNR1
SCHEMBL5154201 0.84 POLB (0.41) POLBMAPTKMT2AMEN1HPGD
SCHEMBL998208 0.84 AKR1C2 (0.46) PTGS2POLBMAPTKMT2AMEN1
SCHEMBL5805756 0.83 PTGS2 (0.47) PTGS2MAPTKMT2AMEN1TP53
SCHEMBL5809313 0.82 PTGS2 (0.42) PTGS2POLBMAPTKMT2AMEN1
SCHEMBL8673269 0.81 POLB (0.33) PTGS2POLBMAPTHPGDCNR1

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
WO-2001062085-A1 PROTECTED FORMS OF PHARMACOLOGICALLY ACTIVE AGENTS AND USES THEREFOR MEDINOX, INC. (US) 2001-08-30 WO disclosed