SCHEMBL30600472

SCHEMBL30600472

CC(C)C[C@H](N)C(=O)N[C@H](CO)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.61
SLC7A5 Q01650 1/20 0.53
TGFBR1 P36897 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.46
LARS1 Q9P2J5 2/20 0.45
LAP3 P28838 3/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 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
SCHEMBL8945299 1.00 MME (0.61) MMESLC7A5TGFBR1ALDH1A1MAPT
SCHEMBL8945304 1.00 MME (0.61) MMESLC7A5TGFBR1ALDH1A1MAPT
SCHEMBL30123121 0.97 MME (0.58) MMESLC7A5TGFBR1ALDH1A1MAPT
SCHEMBL29788251 0.95 MME (0.56) MMESLC7A5TGFBR1ALDH1A1MAPT
SCHEMBL30662328 0.95 MME (0.56) MMESLC7A5TGFBR1ALDH1A1MAPT
Dimethyl Sulfone SCHEMBL17165618 0.95 MME (0.56) MMESLC7A5TGFBR1ALDH1A1MAPT
Dimethyl Sulfone SCHEMBL17165619 0.95 MME (0.56) MMESLC7A5TGFBR1ALDH1A1MAPT
SCHEMBL29406037 0.94 MME (0.55) MMESLC7A5TGFBR1ALDH1A1MAPT
SCHEMBL29725304 0.94 MME (0.55) MMESLC7A5TGFBR1ALDH1A1MAPT
SCHEMBL29351939 0.92 MME (0.53) MMESLC7A5ALDH1A1MAPTLAP3

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
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed