SCHEMBL31372137

SCHEMBL31372137

Cc1c(O)cc2oc(-c3ccccc3)c(Cc3ccc(O)cc3)c(=O)c2c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 10/20 0.64
▸ PTPN1 P18031 8/20 0.64
▸ ABCB1 P08183 4/20 0.51
▸ MAOA P21397 2/20 0.50
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ BCHE P06276 1/20 0.47
▸ P4HB P07237 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ ACHE P22303 1/20 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
SCHEMBL30932996 0.81 ABCB1 (0.67) ABCB1MAOAMAPTALDH1A1KDM4E
SCHEMBL31026217 0.78 MEN1 (0.68) PTPN1ABCB1MAOAMAPTALDH1A1
SCHEMBL29782768 0.73 ABCB1 (0.72) PTPN1ABCB1MAOAMAPTKDM4E
SCHEMBL29782758 0.73 ABCB1 (0.72) PTPN1ABCB1MAOAMAPTKDM4E
SCHEMBL10810477 0.72 ACP1 (0.88) ACP1PTPN1MAPTALDH1A1KDM4E
SCHEMBL157972 0.71 MAPK8 (0.74) ABCB1MAOAMAPTALDH1A1KDM4E
SCHEMBL10869318 0.70 MEN1 (0.50) ACP1PTPN1ABCB1MAOAMAPT
SCHEMBL738107 0.69 MEN1 (0.70) ABCB1MAOAMAPTALDH1A1KDM4E
SCHEMBL19268595 0.69 MEN1 (0.63) ABCB1MAOAMAPTALDH1A1KDM4E
6-Hydroxykaempferol SCHEMBL674949 0.69 AMY1A (0.76) PTPN1ABCB1MAOAMAPTALDH1A1

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-119198891-A Visual detection method for chemical components in ophiopogon japonicus 浙江大学长三角智慧绿洲创新中心 2024-12-27 — — CN disclosed
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