SCHEMBL11817513

SCHEMBL11817513

COc1cccc2c1C(=O)N(NC(=O)c1ccccc1O)C2=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.67
▸ PTGS2 P35354 1/20 0.67
▸ GAA P10253 2/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ ATM Q13315 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ BLM P54132 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11811601 0.89 PTGS1 (0.62) PTGS1PTGS2GAAKMT2AMEN1
SCHEMBL11806443 0.87 PTGS1 (0.61) PTGS1PTGS2GAAKMT2AMEN1
SCHEMBL11813383 0.86 PTGS1 (0.60) PTGS1PTGS2GAAKMT2AMEN1
SCHEMBL11808261 0.85 PTGS1 (0.69) PTGS1PTGS2GAAKMT2AMEN1
SCHEMBL11812387 0.84 PTGS1 (0.72) PTGS1PTGS2GAAKMT2AMEN1
SCHEMBL11813323 0.82 PTGS1 (0.74) PTGS1PTGS2GAAKMT2AMEN1
SCHEMBL11812714 0.82 PTGS1 (0.74) PTGS1PTGS2GAAKMT2AMEN1
SCHEMBL25210751 0.82 PTGS1 (0.63) PTGS1PTGS2GAAKMT2AMEN1
SCHEMBL577155 0.81 PTGS1 (1.00) PTGS1PTGS2GAAKMT2AMEN1
SCHEMBL11810343 0.81 PTGS1 (0.72) PTGS1PTGS2GAAKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3956331-A STABILIZER FOR POLYOLEFIN UBE INDUSTRIES, LTD. (JA) 1976-05-11 — — US disclosed
US-3933736-A HOMO- AND CO-POLYMERS OF ETHYLENE, PROPYLENE, BUTENE-1, PENTENE-1, AND 4-METHYLPENTENE-1 WITH ETHYL ACRYLATE OR VINYL ACETATE UBE INDUSTRIES, LTD. (JA) 1976-01-20 — — US disclosed
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