SCHEMBL9533114

SCHEMBL9533114

CCCCCCCCCNC(=O)NSc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.57
EPHX1 P07099 8/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
TBXA2R P21731 8/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9528272 1.00 MGLL (0.57) MGLLEPHX1SMN1; SMN2ALDH1A1HTT
SCHEMBL19741321 0.82 EPHX1 (0.61) EPHX1ALDH1A1HTT
SCHEMBL10667594 0.82 EPHX1 (0.61) EPHX1ALDH1A1HTT
SCHEMBL17079618 0.80 EPHX1 (0.67) MGLLEPHX1ALDH1A1HTT
SCHEMBL7157543 0.80 EPHX1 (0.67) MGLLEPHX1ALDH1A1HTT
SCHEMBL19741475 0.79 MEN1 (0.50) EPHX1SMN1; SMN2ALDH1A1HTT
SCHEMBL14424473 0.78 EPHX1 (0.64) MGLLEPHX1ALDH1A1HTT
SCHEMBL14873157 0.77 HPGD (0.57) EPHX1ALDH1A1HTTKDM4E
SCHEMBL10662736 0.76 EPHX2 (0.50) EPHX1ALDH1A1HTT
SCHEMBL22265515 0.76 L3MBTL1 (0.68) MGLLSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed
WO-1989000563-A1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (US) 1989-01-26 WO disclosed
EP-0299533-A2 High potency sweetening agents THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1989-01-18 EP disclosed