Mandelic Acid

Mandelic Acid

SCHEMBL7963777

CC(C)c1ccc(OCCC(O)N2CCC(c3cnc4ccccc4n3)CC2)cc1.O=C(O)C(O)c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
ACACB O00763 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
PABPC1 P11940 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALOX5 P09917 3/20 0.35
HRH1 P35367 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PRNP P04156 1/20 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
SCHEMBL7963779 0.79 MAPT (0.41) MAPTTP53LMNAMEN1KMT2A
SCHEMBL7963780 0.77 AKT1 (0.37) MAPTTP53LMNAACACBMEN1
SCHEMBL7953566 0.69 OPRM1 (0.39) MAPTLMNAMEN1KMT2ASMN1; SMN2
Maleic Acid SCHEMBL7967346 0.69 RAB9A (0.42) MEN1KMT2AKDM4ESMN1; SMN2RAB9A
Fumaric Acid SCHEMBL7967350 0.69 RAB9A (0.42) MEN1KMT2AKDM4ESMN1; SMN2RAB9A
SCHEMBL7962232 0.68 HTR1A (0.34) AKT1AKT2
SCHEMBL25171674 0.66 HDAC4 (0.49) TP53LMNAAKT1AKT2NPSR1
SCHEMBL7953787 0.64 KDM4E (0.37) MAPTTP53LMNAMEN1KMT2A
SCHEMBL7962696 0.63 LTA4H (0.35) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL3714809 0.62 HPGDS (0.53) TP53MEN1KMT2APOLB

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
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed