SCHEMBL27733436

SCHEMBL27733436

COc1cccc(CCC(=O)NCCOc2ccc(Cl)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.77
▸ ATM Q13315 1/20 0.77
▸ CNR1 P21554 1/20 0.57
▸ MTNR1A P48039 2/20 0.54
▸ MTNR1B P49286 2/20 0.54
▸ MC4R P32245 1/20 0.53
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL14340568 0.79 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1HTTSMN1; SMN2
SCHEMBL3199590 0.79 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1HTTSMN1; SMN2
SCHEMBL1010851 0.78 KMT2A (0.67) KMT2AATMCNR1MC4R
SCHEMBL22061338 0.77 FFAR1 (0.54) KMT2AATMMTNR1AMTNR1BALDH1A1
SCHEMBL24528927 0.75 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL29722609 0.75 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL8928122 0.75 MTNR1B (0.70) KMT2AMTNR1AMTNR1B
SCHEMBL1663265 0.75 MTNR1A (0.64) CNR1MTNR1AMTNR1BCA1CA2
SCHEMBL4024309 0.75 KMT2A (0.80) KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL14051118 0.75 CA1 (0.63) MTNR1AMTNR1BCA1CA2ALDH1A1

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
CN-100425594-C PPAR activating compound and pharmaceutical composition containing the same KOWA CO (JP) 2008-10-15 — — CN disclosed
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