SCHEMBL29045777

SCHEMBL29045777

COc1cc(COc2ccc(OCCOCCNC3CCCC3)cc2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOXM1 Q08050 2/20 0.66
▸ KDM4E B2RXH2 6/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ KMT2A Q03164 3/20 0.47
▸ TUBB1 Q9H4B7 2/20 0.46
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 1/20 0.46

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
SCHEMBL29986120 0.89 FOXM1 (0.66) FOXM1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL29045797 0.89 FOXM1 (0.66) FOXM1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL29045851 0.85 FOXM1 (0.77) FOXM1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL29985891 0.82 FOXM1 (0.73) FOXM1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL29045850 0.82 KDM4E (0.60) FOXM1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL29045830 0.82 FOXM1 (0.73) FOXM1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL29045796 0.82 FOXM1 (0.65) FOXM1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL29045860 0.81 FOXM1 (0.67) FOXM1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL29045805 0.80 FOXM1 (0.77) FOXM1KDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL29045813 0.80 FOXM1 (1.00) FOXM1KDM4ESMN1; SMN2ALDH1A1CYP1A2

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-115304502-B FOXM1 inhibitor and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-10-18 — — CN disclosed
CN-115304502-A FOXM1 inhibitor and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-11-08 — — CN disclosed
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