SCHEMBL19952964

SCHEMBL19952964

COC(c1ccccc1)[C@@H](C=O)NC(=O)[C@H](CC(=O)O)NCCC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
CASP3 P42574 2/20 0.34
CASP8 Q14790 1/20 0.34
RIPK1 Q13546 1/20 0.33
MMP12 P39900 1/20 0.33
MMP2 P08253 5/20 0.32
MMP3 P08254 3/20 0.32
CYP26A1 O43174 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12202138 0.76 MME (0.41) MMP2MMP3CTSSCTSK
SCHEMBL12829570 0.74 ALDH1A1 (0.55) KMT2A
SCHEMBL4311 0.74 ALDH1A1 (0.55) KMT2A
SCHEMBL5053951 0.74 ALDH1A1 (0.55) KMT2A
SCHEMBL7705919 0.73 ALDH1A1 (0.54) KMT2A
Water SCHEMBL7132204 0.73 ALDH1A1 (0.54) KMT2A
SCHEMBL18740851 0.73 ALDH1A1 (0.54) KMT2A
SCHEMBL14438550 0.72 REN (0.42)
SCHEMBL12228018 0.72 REN (0.42)
SCHEMBL759233 0.72 MME (0.52) MMP12MMP2MMP3MMP9MMP13

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-3510010-A1 TASTE MODULATING ALDEHYDES Takasago International Corporation (JP) 2019-07-17 EP disclosed
WO-2018049352-A1 TASTE MODULATING ALDEHYDES TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2018-03-15 WO disclosed