SCHEMBL13817854

SCHEMBL13817854

Cc1cc(C)c(C2=C(OC(=O)C(C)(C)C)CC3CCCCN3C2=O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ BRCA1 P38398 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ ELANE P08246 1/20 0.30

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
SCHEMBL13817847 0.78 HTR2A (0.41) HTR2AHTR2CHTR2BCNR1MAPT
SCHEMBL9372384 0.73 ELANE (0.34) MAPTMEN1KMT2AELANE
SCHEMBL10327036 0.72 ACHE (0.33) ELANE
SCHEMBL9534842 0.72 ALDH1A1 (0.32) MEN1KMT2A
SCHEMBL12239434 0.69 ACHE (0.35) —
SCHEMBL15763653 0.69 ELANE (0.32) ELANE
SCHEMBL8312583 0.68 KMT2A (0.36) HTR2AHTR2CHTR2BMAPTMEN1
SCHEMBL10326979 0.68 ELANE (0.33) ELANE
SCHEMBL19531486 0.68 ELANE (0.33) ELANE
SCHEMBL10327222 0.68 EGFR (0.33) ELANE

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-7547660-B2 Phenyl-substituted 4-hydroxy-tetrahydropyridones BAYER AKTIENGESELLSCHAFT (DE) 2009-06-16 — — US disclosed
US-7547660-B2 Phenyl-substituted 4-hydroxy-tetrahydropyridones BAYER AKTIENGESELLSCHAFT (DE) 2009-06-16 — — US disclosed
EP-1276741-B1 PHENYL SUBSTITUTED 4-HYDROXY TETRAHYDROPYRIDONE AND ITS USE AS PESTICIDE AND HERBICIDE BAYER CROPSCIENCE AG (DE) 2008-12-31 — — EP disclosed
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