SCHEMBL29691925

SCHEMBL29691925

COc1c(OC)c(O)c2c(=O)c(OC)c(-c3ccc4c(c3)OCO4)oc2c1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.68
▸ MAPT P10636 3/20 0.68
▸ GAA P10253 2/20 0.68
▸ TUBB4A P04350 3/20 0.67
▸ TUBB P07437 3/20 0.67
▸ TUBA3C P0DPH7 3/20 0.67
▸ TUBA1B P68363 3/20 0.67
▸ TUBA4A P68366 3/20 0.67
▸ TUBB4B P68371 3/20 0.67
▸ TUBB3 Q13509 3/20 0.67
▸ TUBB2A Q13885 3/20 0.67
▸ TUBB8 Q3ZCM7 3/20 0.67
▸ TUBA3E Q6PEY2 3/20 0.67
▸ TUBA1A Q71U36 3/20 0.67
▸ TUBA1C Q9BQE3 3/20 0.67
▸ TUBB6 Q9BUF5 3/20 0.67
▸ TUBB2B Q9BVA1 3/20 0.67
▸ TUBB1 Q9H4B7 3/20 0.67
▸ CYP1A2 P05177 2/20 0.57
▸ CYP1A1 P04798 1/20 0.57

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
SCHEMBL15477918 1.00 KDM4E (0.68) KDM4EMAPTGAATUBB4ATUBB
SCHEMBL30669273 0.83 CYP1A1 (0.58) KDM4EMAPTGAACYP1A2CYP1A1
SCHEMBL9063848 0.83 CYP1A1 (0.58) KDM4EMAPTGAACYP1A2CYP1A1
SCHEMBL9063795 0.82 ABCB1 (0.70) KDM4EMAPTTUBB4ATUBBTUBA3C
SCHEMBL507435 0.81 MAPT (1.00) KDM4EMAPTGAATUBB4ATUBB
SCHEMBL27084612 0.81 ABCB1 (0.51) KDM4EMAPTGAATUBB4ATUBB
Calycopterin SCHEMBL2214965 0.80 KDM4E (0.73) KDM4EMAPTGAATUBB4ATUBB
SCHEMBL28652987 0.80 KDM4E (0.84) KDM4EMAPTGAATUBB4ATUBB
SCHEMBL7921852 0.80 TUBB4A (1.00) KDM4EMAPTGAATUBB4ATUBB
5-Hydroxyauranetin SCHEMBL4066374 0.79 MAPT (0.71) KDM4EMAPTGAATUBB4ATUBB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013438-A1 HERBAL PREPARATION FOR STIMULATION OF HAIR GROWTH, CONTROL OF HAIR FALL, DANDRUFF AND INFECTIONS THEREOF USING AGERATUM SPP GE Nutrients, Inc. (US) 2022-06-22 — — EP claimed
CN-114555104-A Herbal preparation for stimulating hair growth, controlling hair loss, dandruff and infections thereof using ageratum species GE营养有限公司 2022-05-27 — — CN claimed
EP-4013438-A1 HERBAL PREPARATION FOR STIMULATION OF HAIR GROWTH, CONTROL OF HAIR FALL, DANDRUFF AND INFECTIONS THEREOF USING AGERATUM SPP GE Nutrients, Inc. (US) 2022-06-22 — — EP disclosed
CN-114555104-A Herbal preparation for stimulating hair growth, controlling hair loss, dandruff and infections thereof using ageratum species GE营养有限公司 2022-05-27 — — CN disclosed
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