SCHEMBL9989101

SCHEMBL9989101

O=C(N[C@@H](CCc1ccccc1)C(=O)O)c1ccc(-c2ccccc2)o1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 5/20 0.56
C3AR1 Q16581 7/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MME P08473 1/20 0.52
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49

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
SCHEMBL9989105 1.00 SUCNR1 (0.56) SUCNR1C3AR1KDM4EALDH1A1MME
SCHEMBL2247803 0.84 C3AR1 (0.55) SUCNR1C3AR1
SCHEMBL13892828 0.84 HPGD (0.72) ALDH1A1MMEHPGDPOLBHTT
SCHEMBL13892835 0.84 HPGD (0.51) C3AR1ALDH1A1MMEHPGDPOLB
SCHEMBL26263209 0.83 SUCNR1 (0.61) SUCNR1C3AR1ALDH1A1HPGDERCC5
SCHEMBL26264278 0.83 SUCNR1 (0.72) SUCNR1C3AR1ALDH1A1HPGDERCC5
SCHEMBL9989814 0.81 FOLH1 (0.54) SUCNR1C3AR1KDM4EALDH1A1MME
SCHEMBL9989810 0.81 FOLH1 (0.54) SUCNR1C3AR1KDM4EALDH1A1MME
SCHEMBL4275519 0.79 KMT2A (0.70) ALDH1A1MMEHPGDSMN1; SMN2LMNA
SCHEMBL4275526 0.79 KMT2A (0.70) ALDH1A1MMEHPGDSMN1; SMN2LMNA

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-2011159781-A2 BITTER TASTE MODULATORS SENOMYX, INC. (US) 2011-12-22 WO disclosed