SCHEMBL27716144

SCHEMBL27716144

C[C@@H](NC(=O)Oc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.58
ALDH1A1 P00352 5/20 0.51
GAA P10253 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CYP1A2 P05177 1/20 0.50
MAPT P10636 3/20 0.49
HSP90AA1 P07900 1/20 0.47
FAAH O00519 1/20 0.47
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL1833147 1.00 SLC1A3 (0.58) SLC1A3ALDH1A1GAAMEN1KMT2A
SCHEMBL1837626 1.00 SLC1A3 (0.58) SLC1A3ALDH1A1GAAMEN1KMT2A
SCHEMBL11823050 0.86 SMN1; SMN2 (0.57) SLC1A3ALDH1A1GAANPC1RAB9A
SCHEMBL27406024 0.86 SLC1A3 (0.55) SLC1A3ALDH1A1GAAMEN1KMT2A
SCHEMBL23423134 0.86 MAPK1 (0.56) SLC1A3ALDH1A1GAAMEN1KMT2A
SCHEMBL1895598 0.85 SLC1A3 (0.57) SLC1A3ALDH1A1GAAMEN1KMT2A
SCHEMBL1849668 0.83 SLC1A3 (0.56) SLC1A3ALDH1A1GAAMEN1KMT2A
SCHEMBL16173967 0.83 ALDH1A1 (0.50) SLC1A3ALDH1A1GAAMEN1KMT2A
SCHEMBL3363885 0.82 SLC1A3 (0.69) SLC1A3ALDH1A1GAAMEN1KMT2A
SCHEMBL1953003 0.82 SLC1A3 (0.69) SLC1A3ALDH1A1GAAMEN1KMT2A

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-101227885-A Wrinkle preventing/improving agent SHISEIDO CO LTD (JP) 2008-07-23 CN disclosed