Malabaricone A

Malabaricone A

SCHEMBL9117944

O=C(CCCCCCCCc1ccccc1)c1c(O)cccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 1.00
SGMS1 Q86VZ5 4/20 1.00
SGMS2 Q8NHU3 4/20 1.00
CBS P35520 1/20 0.77
BID P55957 1/20 0.65
BCL2L1 Q07817 1/20 0.65
MCL1 Q07820 1/20 0.65
BAK1 Q16611 1/20 0.65
MAPT P10636 3/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
HTT P42858 1/20 0.63
KMT2A Q03164 1/20 0.63
ATM Q13315 1/20 0.63
RXFP1 Q9HBX9 1/20 0.61
DPP4 P27487 1/20 0.59
GAA P10253 1/20 0.57
SLC5A1 P13866 1/20 0.57
SLC5A2 P31639 1/20 0.57
NPC1 O15118 1/20 0.54

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
SCHEMBL28161066 0.93 ACHE (0.87) ACHESGMS1SGMS2CBSBID
Malabaricone B SCHEMBL30291815 0.89 ACHE (1.00) ACHESGMS1SGMS2CBSBID
SCHEMBL24842064 0.86 ACHE (0.75) ACHESGMS1SGMS2CBSBID
Malabaricone C SCHEMBL7784918 0.83 ACHE (1.00) ACHESGMS1SGMS2CBSMAPT
SCHEMBL24824292 0.83 ACHE (1.00) ACHESGMS1SGMS2CBSMAPT
SCHEMBL24824289 0.83 ACHE (1.00) ACHESGMS1SGMS2CBSMAPT
SCHEMBL31040543 0.82 CBS (0.75) ACHESGMS1SGMS2CBSMAPT
5-Phenylvaleric Acid SCHEMBL11500420 0.79 MAPT (0.81) ACHESGMS1SGMS2CBSMAPT
SCHEMBL9242650 0.79 TDP1 (0.85) ACHESGMS1SGMS2CBSMAPT
SCHEMBL8559822 0.79 TDP1 (0.85) ACHESGMS1SGMS2CBSMAPT

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
JP-7033651-A None JP disclosed
US-12474327-B2 Metabolic profiling for the diagnosis of a subset of idiopathic autism spectrum disorder patients, ADS Phenotype 1 STALICLA SA (CH) 2025-11-18 US disclosed
JP-H0733651-A PROMOTER FOR BIOSYNTHESIS OF COLLAGEN LION CORP 1995-02-03 JP disclosed