SCHEMBL31574474

SCHEMBL31574474

COc1ccc(C2CC(c3ccc(Cl)cc3)=NN2C(=O)CCC(=O)O)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.73
▸ MAOA P21397 2/20 0.62
▸ MAOB P27338 1/20 0.62
▸ RAB9A P51151 1/20 0.59
▸ RCE1 Q9Y256 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ YAP1 P46937 1/20 0.57
▸ TEAD4 Q15561 1/20 0.57
▸ RXRA P19793 1/20 0.56
▸ RXRB P28702 1/20 0.56
▸ RXRG P48443 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ ACHE P22303 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ PKM P14618 1/20 0.53

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
SCHEMBL31574500 0.86 MAOA (0.62) POLBMAOAMAOBRAB9ARCE1
SCHEMBL22420542 0.85 PKM (0.74) POLBRAB9ARCE1L3MBTL1RXRA
SCHEMBL31574569 0.83 POLB (0.68) POLBMAOAMAOBCA1CA2
SCHEMBL31574466 0.81 POLB (0.58) POLBMAOARAB9AKDM4EALDH1A1
SCHEMBL31574554 0.81 MAOA (0.64) POLBMAOAMAOBKDM4EALDH1A1
SCHEMBL31574473 0.81 POLB (0.58) POLBRAB9AKDM4EALDH1A1
SCHEMBL21393070 0.81 YAP1 (0.69) POLBMAOAMAOBL3MBTL1YAP1
SCHEMBL3318074 0.81 KDM4E (0.69) POLBMAOARAB9AACHEKDM4E
SCHEMBL22420636 0.81 PKM (0.76) POLBRAB9ARCE1L3MBTL1RXRA
SCHEMBL22420645 0.80 PKM (0.67) POLBMAOAMAOBKDM4EBLM

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-119998272-A Methanogen inhibitors 阿格里泽伦茨有限合伙公司 2025-05-13 — — CN disclosed
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