SCHEMBL623385

SCHEMBL623385

CC(CCOc1cccc(N)c1C#N)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
XDH P47989 2/20 0.37
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
CNR2 P34972 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
ESR1 P03372 1/20 0.34
KCNH2 Q12809 1/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL620379 0.89 MTNR1A (0.41) SMN1; SMN2MAPK1
SCHEMBL621914 0.82 MAPK8 (0.39) HTTSMN1; SMN2XDH
SCHEMBL21267912 0.82 SMN1; SMN2 (0.38) SMN1; SMN2MAPK1KDM4EALDH1A1MRGPRX4
SCHEMBL621613 0.82 SMN1; SMN2 (0.38) SMN1; SMN2MAPK1KDM4EALDH1A1MRGPRX4
SCHEMBL621752 0.80 ADRB1 (0.35) SMN1; SMN2MAPK1KDM4EALDH1A1MRGPRX4
SCHEMBL31670293 0.74 CTSS (0.48)
SCHEMBL28455496 0.74 CTSS (0.48)
SCHEMBL31670282 0.74 CTSS (0.48)
SCHEMBL28460837 0.74 CTSS (0.48)
SCHEMBL28454782 0.74 CTSS (0.48)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603098-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER Senomyx, Inc. (US) 2013-06-19 EP disclosed
WO-2012021837-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 WO disclosed