SCHEMBL16716536

SCHEMBL16716536

CN=C(C)C(Cn1cc(N(C(=O)NCCOC)C(=O)NCc2ccccc2)cn1)=C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA13 Q8N1Q1 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GLS O94925 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL16716582 0.68 TAS2R8 (0.37) CA12CA1CA2CA3CA4
SCHEMBL16716546 0.65 TAS2R8 (0.68) KMT2A
SCHEMBL16357866 0.64 NPC1 (0.51) CA12CA1CA2CA3CA4
SCHEMBL16716496 0.62 TAS2R8 (0.64) —
SCHEMBL10090180 0.62 EPHX1 (0.65) CA12CA1CA2CA3CA4
SCHEMBL3362410 0.60 HPGD (0.51) CA12CA1CA2CA3CA4
SCHEMBL10090330 0.59 HDAC1 (0.55) CA12CA1CA2CA3CA4
SCHEMBL556793 0.59 MEN1 (0.64) L3MBTL1KMT2AMAPT
SCHEMBL8533502 0.58 TSHR (0.69) L3MBTL1KDM4EKMT2AHPGDNPC1
SCHEMBL12500219 0.58 KDM4E (0.71) CA2MAPK1L3MBTL1KDM4ERAB9A

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
EP-2487169-B1 Compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX INC (US) 2015-05-20 — — EP disclosed
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