Mandelic Acid

Mandelic Acid

SCHEMBL9747772

C1N2CN3CN1CN(C2)C3.C1N2CN3CN1CN(C2)C3.O=C(O)C(O)c1ccccc1.O=C(O)C(O)c1ccccc1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.75
MAPK1 P28482 1/20 0.75
SRC P12931 2/20 0.52
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CYP2D6 P10635 2/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.42
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BLM P54132 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
Mandelic Acid SCHEMBL3645 1.00 LMNA (0.75) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL388417 0.98 LMNA (0.72) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL5313046 0.87 LMNA (1.00) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL29777368 0.87 LMNA (1.00) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL21647917 0.87 LMNA (1.00) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL255601 0.87 LMNA (1.00) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL165161 0.87 LMNA (1.00) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL1050 0.87 LMNA (1.00) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL29214389 0.85 LMNA (0.86) LMNAMAPK1SRCCES2CES1
Mandelic Acid SCHEMBL3622024 0.85 LMNA (0.86) LMNAMAPK1SRCCES2CES1

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
US-5171563-A Cleavable linkers for the reduction of non-target organ retention of immunoconjugates NEORX CORPORATION (US) 1992-12-15 US disclosed