Mandelic Acid

Mandelic Acid

SCHEMBL8096709

CC(C)C(N)(CC(c1ccccc1)c1cc(CO)ccc1O)C(C)C.O=C(O)C(O)c1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
MAPK1 P28482 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM3 P20309 2/20 0.39
HRH1 P35367 2/20 0.39
ADRB2 P07550 1/20 0.39
CX3CR1 P49238 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HPGD P15428 3/20 0.37
MAPT P10636 4/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 5/20 0.35
HTT P42858 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL1354181 0.91 LMNA (0.40) LMNACHRM2CHRM1MAPK1CHRM5
SCHEMBL8096707 0.84 LMNA (0.37) LMNACHRM2CHRM1MAPK1CHRM5
Hydrochloric Acid SCHEMBL8104115 0.79 DPP4 (0.40) LMNACHRM2CHRM1MAPK1CHRM5
Cadaverine Tartrate SCHEMBL5269127 0.79 CHRM2 (0.62) LMNACHRM2CHRM1MAPK1CHRM5
Desfesoterodine SCHEMBL5178331 0.78 CHRM3 (0.65) LMNACHRM2CHRM1MAPK1CHRM5
Desfesoterodine SCHEMBL3924814 0.78 CHRM3 (0.65) LMNACHRM2CHRM1MAPK1CHRM5
SCHEMBL8109866 0.76 ERCC1 (0.39) LMNACHRM2CHRM1MAPK1CHRM5
Hydrochloric Acid SCHEMBL8096376 0.76 IGF1R (0.37) LMNACHRM2CHRM1MAPK1CHRM5
SCHEMBL580445 0.76 MAPT (0.56) LMNACHRM2CHRM1MAPK1CHRM5
SCHEMBL6760480 0.76 CHRM2 (0.51) CHRM2CHRM1HPGDMAPTHTT

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
EP-1019358-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia & Upjohn AB (SE) 2000-07-19 EP disclosed
WO-1998043942-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-10-08 WO disclosed