SCHEMBL8993579

SCHEMBL8993579

O=C(O)[C@@H](O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.74
MAPK1 P28482 1/20 0.74
PTGS2 P35354 1/20 0.61
ACP3 P15309 2/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2D6 P10635 1/20 0.44
SRC P12931 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL7564005 1.00 LMNA (0.74) LMNAMAPK1PTGS2ACP3CES2
SCHEMBL7564021 1.00 LMNA (0.74) LMNAMAPK1PTGS2ACP3CES2
Mandelic Acid SCHEMBL5313046 0.85 LMNA (1.00) LMNAMAPK1CES2CES1PKM
Mandelic Acid SCHEMBL1050 0.85 LMNA (1.00) LMNAMAPK1CES2CES1PKM
Mandelic Acid SCHEMBL21647917 0.85 LMNA (1.00) LMNAMAPK1CES2CES1PKM
Mandelic Acid SCHEMBL165161 0.85 LMNA (1.00) LMNAMAPK1CES2CES1PKM
Mandelic Acid SCHEMBL255601 0.85 LMNA (1.00) LMNAMAPK1CES2CES1PKM
Mandelic Acid SCHEMBL29777368 0.85 LMNA (1.00) LMNAMAPK1CES2CES1PKM
SCHEMBL275597 0.85 LMNA (0.79) LMNAMAPK1PTGS2CES2CES1
SCHEMBL8997286 0.84 LMNA (0.58) LMNAMAPK1PTGS2CYP2C9CYP2C19

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
US-5504108-A ANTIAGGLOMERANTS, ANTIARTHRITIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-04-02 US disclosed
WO-1995023139-A1 OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-08-31 WO disclosed