SCHEMBL14464228

SCHEMBL14464228

CCOC(=O)C(Cc1ccccc1C)NC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.47
▸ MMP8 P22894 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ NR3C2 P08235 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL27388969 0.89 OPRK1 (0.48) EPHX2PPARGPPARAALDH1A1KMT2A
SCHEMBL3162028 0.85 MMP8 (0.40) EPHX2MMP8MEN1KMT2APIN1
SCHEMBL16509235 0.83 HPGD (0.41) EPHX2PPARGPPARAALDH1A1KMT2A
SCHEMBL16203412 0.82 PPARG (0.48) PPARGPPARAALDH1A1KMT2AGAA
SCHEMBL10065590 0.82 PPARG (0.48) PPARGPPARAALDH1A1KMT2AGAA
SCHEMBL29855148 0.82 PPARG (0.48) PPARGPPARAALDH1A1KMT2AGAA
SCHEMBL16870511 0.82 ALDH1A1 (0.42) PPARGPPARAALDH1A1KMT2AGAA
SCHEMBL15179215 0.82 ALDH1A1 (0.42) PPARGPPARAALDH1A1KMT2AGAA
SCHEMBL27977570 0.82 PPARG (0.48) PPARGPPARAALDH1A1KMT2AGAA
SCHEMBL4765072 0.81 MMP8 (0.59) EPHX2MMP8PPARGALDH1A1GAA

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-2007077201-A1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2007-07-12 — — WO disclosed
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