SCHEMBL5017783

SCHEMBL5017783

N[C@@H](COC(=O)C1=CC(O)C(O)C(O)C1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 1/20 0.43
IDO1 P14902 2/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC7A5 Q01650 4/20 0.32
ALPI P09923 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32
XIAP P98170 1/20 0.32
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL15144345 0.76 TSHR (0.38) MEN1LMNACYP3A4KMT2A
SCHEMBL3675243 0.76 TSHR (0.38) MEN1LMNACYP3A4KMT2A
SCHEMBL3650538 0.76 TSHR (0.38) MEN1LMNACYP3A4KMT2A
SCHEMBL13984986 0.76 TSHR (0.38) MEN1LMNACYP3A4KMT2A
SCHEMBL3277593 0.75 SLC7A5 (0.31) SLC7A5
SCHEMBL1716907 0.71 CHRM3 (0.36) LMNAKMT2A
Shikimic Acid SCHEMBL13577074 0.69 GABRR1 (0.36)
Shikimic Acid SCHEMBL8943144 0.69 GABRR1 (0.36)
Shikimic Acid SCHEMBL9885028 0.69 GABRR1 (0.36)
Shikimic Acid SCHEMBL43377 0.69 GABRR1 (0.36)

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-1641930-A4 NUCLEIC ACID SEQUENCES ENCODING PROTEINS ASSOCIATED WITH ABIOTIC STRESS RESPONSE AND PLANT CELLS AND PLANTS WITH INCREASED TOLERANCE TO ENVIRONMENTAL STRESS BASF PLANT SCIENCE GMBH (DE) 2008-06-11 EP claimed
EP-1641930-A2 NUCLEIC ACID SEQUENCES ENCODING PROTEINS ASSOCIATED WITH ABIOTIC STRESS RESPONSE AND PLANT CELLS AND PLANTS WITH INCREASED TOLERANCE TO ENVIRONMENTAL STRESS BASF Plant Science GmbH (DE) 2006-04-05 EP claimed
WO-2004092398-A2 NUCLEIC ACID SEQUENCES ENCODING PROTEINS ASSOCIATED WITH ABIOTIC STRESS RESPONSE AND PLANT CELLS AND PLANTS WITH INCREASED TOLERANCE TO ENVIRONMENTAL STRESS BASF PLANT SCIENCE GMBH (DE) 2004-10-28 WO claimed