Khellin

Khellin

SCHEMBL30839911

COc1c2occc2c(OC)c2c(=O)cc(C)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 1.00
CYP1A1 P04798 3/20 1.00
HPGD P15428 3/20 1.00
MAPK1 P28482 3/20 1.00
CYP1A2 P05177 3/20 1.00
CYP1B1 Q16678 2/20 1.00
ALDH1A1 P00352 2/20 1.00
CYP2D6 P10635 2/20 1.00
PDE4A P27815 2/20 1.00
CYP2C19 P33261 2/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
KCNA3 P22001 6/20 0.69
MAPT P10636 1/20 0.68
ADORA3 P0DMS8 2/20 0.63
THRB P10828 1/20 0.63
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
ALOX15 P16050 1/20 0.50
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47

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
Khellin SCHEMBL9655 1.00 CYP3A4 (1.00) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL3609628 0.90 CYP3A4 (0.82) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL10300856 0.90 CYP3A4 (0.82) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL13920849 0.90 CYP3A4 (0.81) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL13920848 0.90 CYP3A4 (0.81) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL1343992 0.88 CYP3A4 (0.78) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL1344606 0.88 CYP3A4 (0.78) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL12133429 0.88 CYP3A4 (0.77) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL12132138 0.87 CYP1A1 (0.76) CYP3A4CYP1A1HPGDMAPK1CYP1A2
SCHEMBL1344680 0.87 CYP3A4 (0.76) CYP3A4CYP1A1HPGDMAPK1CYP1A2

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
CN-119968127-A Animal food compositions with improved palatability and customizable properties and methods of making the same 玛氏公司 2025-05-09 CN disclosed
CN-117835967-A Compositions and methods for targeted delivery to cells 瑞科德治疗公司 2024-04-05 CN disclosed