Penduletin

Penduletin

SCHEMBL30823992

COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 1.00
ABCG2 Q9UNQ0 1/20 1.00
POLB P06746 3/20 0.69
KDM4E B2RXH2 2/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
APEX1 P27695 1/20 0.69
RECQL P46063 1/20 0.69
MCL1 Q07820 1/20 0.69
POLH Q9Y253 1/20 0.69
TUBB4A P04350 5/20 0.67
TUBB P07437 5/20 0.67
TUBA3C P0DPH7 5/20 0.67
TUBA1B P68363 5/20 0.67
TUBA4A P68366 5/20 0.67
TUBB4B P68371 5/20 0.67
TUBB3 Q13509 5/20 0.67
TUBB2A Q13885 5/20 0.67
TUBB8 Q3ZCM7 5/20 0.67
TUBA3E Q6PEY2 5/20 0.67

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
Penduletin SCHEMBL2217068 1.00 ABCB1 (1.00) ABCB1ABCG2POLBKDM4ECYP3A4
SCHEMBL1144456 0.92 ABCB1 (0.86) ABCB1ABCG2POLBKDM4ECYP3A4
SCHEMBL1683376 0.92 ABCB1 (0.86) ABCB1ABCG2POLBKDM4ECYP3A4
SCHEMBL5073336 0.91 ABCG2 (0.84) ABCB1ABCG2POLBCYP3A4CYP2D6
SCHEMBL2727281 0.91 ABCG2 (0.83) ABCB1ABCG2POLBKDM4ECYP3A4
SCHEMBL28647308 0.90 ABCB1 (0.81) ABCB1ABCG2POLBTUBB4ATUBB
Artemetin SCHEMBL2122576 0.89 TUBB4A (0.84) ABCB1ABCG2POLBKDM4ECYP3A4
Artemetin SCHEMBL29550082 0.89 TUBB4A (0.84) ABCB1ABCG2POLBKDM4ECYP3A4
Artemetin SCHEMBL29416756 0.89 TUBB4A (0.84) ABCB1ABCG2POLBKDM4ECYP3A4
3,6-Dimethoxy Kaempferol SCHEMBL30707828 0.88 TUBB4A (0.83) ABCB1ABCG2POLBKDM4ECYP3A4

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-118304334-A Preparation and application of traditional Chinese medicine fructus rhodomyrti liver protection active ingredient 北京工业大学 2024-07-09 CN claimed
CN-117338691-A Oil control composition and preparation method thereof 华观(宁波)生物科技有限公司 2024-01-05 CN disclosed