SCHEMBL29138747

SCHEMBL29138747

COc1c(OC)c(OC)c2c(=O)c(OC)c(-c3ccccc3O)oc2c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
GAA P10253 3/20 0.53
MAPT P10636 3/20 0.53
ABCB1 P08183 3/20 0.53
ALDH1A1 P00352 2/20 0.53
ABCG2 Q9UNQ0 2/20 0.53
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51

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
SCHEMBL30998897 0.90 ABCB1 (0.52) KDM4EGAAMAPTABCB1ALDH1A1
SCHEMBL28065961 0.89 KDM4E (0.50) KDM4EGAAMAPTABCB1ALDH1A1
SCHEMBL27851544 0.86 MAPT (0.54) KDM4EGAAMAPTABCB1ALDH1A1
SCHEMBL718719 0.84 ABCG2 (0.61) KDM4EGAAMAPTABCB1ALDH1A1
SCHEMBL30050914 0.84 ABCG2 (0.60) KDM4EGAAMAPTABCB1ALDH1A1
SCHEMBL30049200 0.83 ABCG2 (0.56) KDM4EGAAMAPTABCB1ALDH1A1
SCHEMBL29723654 0.82 KDM4E (0.59) KDM4EGAAMAPTABCB1ALDH1A1
SCHEMBL775094 0.81 ABCG2 (0.60) KDM4EGAAMAPTABCB1ALDH1A1
SCHEMBL1318320 0.80 KDM4E (0.46) KDM4EGAAMAPTABCB1ALDH1A1
SCHEMBL1764663 0.80 ABCG2 (0.66) KDM4EGAAMAPTABCB1ALDH1A1

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-117398431-A Application of citrus unshiu extract in preparation of medicine for preventing and/or treating alcoholic liver injury 浙江大学 2024-01-16 CN claimed
CN-117398431-A Application of citrus unshiu extract in preparation of medicine for preventing and/or treating alcoholic liver injury 浙江大学 2024-01-16 CN disclosed