Hexahydrocurcumin

Hexahydrocurcumin

SCHEMBL21187516

COc1cc(CCC(=O)C[C@@H](O)CCc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.88
GAA P10253 1/20 0.88
CYP3A4 P08684 5/20 0.80
LTA4H P09960 5/20 0.80
CYP2C8 P10632 4/20 0.80
CYP2C9 P11712 4/20 0.80
CYP2B6 P20813 4/20 0.80
CYP2C19 P33261 4/20 0.80
TRPV1 Q8NER1 3/20 0.80
CYP1A2 P05177 3/20 0.80
HTR1A P08908 3/20 0.78
CYP2D6 P10635 2/20 0.78
CYP2A6 P11509 2/20 0.78
CYP2E1 P05181 1/20 0.78
ALOX5 P09917 2/20 0.68
OR51E2 Q9H255 1/20 0.68
ADRB2 P07550 2/20 0.64

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
Hexahydrocurcumin SCHEMBL29841863 1.00 POLB (0.88) POLBGAACYP3A4LTA4HCYP2C8
Hexahydrocurcumin SCHEMBL290121 1.00 POLB (0.88) POLBGAACYP3A4LTA4HCYP2C8
SCHEMBL23229890 0.95 POLB (0.85) POLBGAACYP3A4LTA4HCYP2C8
SCHEMBL29908853 0.94 GAA (1.00) POLBGAACYP3A4LTA4HCYP2C8
SCHEMBL28766005 0.94 GAA (1.00) POLBGAACYP3A4LTA4HCYP2C8
SCHEMBL32090 0.94 GAA (1.00) POLBGAACYP3A4LTA4HCYP2C8
SCHEMBL5702560 0.92 LTA4H (0.91) POLBGAACYP3A4LTA4HCYP2C8
SCHEMBL20668437 0.92 LTA4H (0.84) POLBGAACYP3A4LTA4HCYP2C8
SCHEMBL25595300 0.92 LTA4H (0.84) POLBGAACYP3A4LTA4HCYP2C8
SCHEMBL31091264 0.92 LTA4H (0.84) POLBGAACYP3A4LTA4HCYP2C8

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-10953068-B2 Anti-inflammatory composition for the treatment of acute joint inflammation and a process for preparation thereof Aurea Biolabs Private Limited (IN) 2021-03-23 US disclosed
US-20190224267-A1 AN ANTI-INFLAMMATORY COMPOSITION FOR THE TREATMENT OF ACUTE JOINT INFLAMMATION AND A PROCESS FOR PREPARATION THEREOF Aurea Biolabs Private Limited (IN) 2019-07-25 US disclosed