SCHEMBL29101712

SCHEMBL29101712

COc1ccc(C2Oc3cc(OC)cc(OC)c3C(=O)C2O)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.69
▸ ABCB1 P08183 6/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ HPGD P15428 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ AGTR1 P30556 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
SCHEMBL28545861 0.84 ALDH1A1 (0.78) ALDH1A1ABCB1KDM4ESMN1; SMN2HTT
SCHEMBL28547458 0.82 SMN1; SMN2 (0.59) ALDH1A1KDM4ESMN1; SMN2HTTCYP2C19
SCHEMBL29352087 0.82 SMN1; SMN2 (0.59) ALDH1A1KDM4ESMN1; SMN2HTTCYP2C19
SCHEMBL17179811 0.81 ALDH1A1 (1.00) ALDH1A1ABCB1KDM4ESMN1; SMN2HTT
SCHEMBL16942322 0.80 ALDH1A1 (0.76) ALDH1A1ABCB1XDH
SCHEMBL28543921 0.80 LMNA (0.54) ALDH1A1KDM4ESMN1; SMN2HTTCYP2C19
SCHEMBL30269563 0.79 MEN1 (0.54) ALDH1A1KDM4ESMN1; SMN2HTTCYP2C19
SCHEMBL21588102 0.79 ALDH1A1 (0.71) ALDH1A1ABCB1XDH
SCHEMBL23743756 0.78 ALDH1A1 (0.73) ALDH1A1ABCB1XDH
SCHEMBL30721006 0.74 XDH (0.57) ALDH1A1KDM4EHTTCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111630041-B Synthesis of morin and morin derivatives 奥萨特有限公司 2023-08-15 — — CN disclosed
Send feedback