SCHEMBL30537479

SCHEMBL30537479

O=C1c2ccccc2C(=O)C1OC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ CNR2 P34972 1/20 0.42
▸ CYP17A1 P05093 7/20 0.41
▸ CYP19A1 P11511 7/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL29732738 0.74 KDM4E (0.47) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL21848400 0.74 KDM4E (0.47) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL18380861 0.72 HBB (0.48) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL1634162 0.71 GAA (0.72) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL14651295 0.69 MAPT (0.86) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL23969628 0.68 KDM4E (0.41) KDM4EMEN1KMT2ANPSR1GAA
SCHEMBL1634159 0.68 KDM4E (0.54) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL27644308 0.67 MAPT (0.55) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL1860966 0.67 KDM4E (0.46) KDM4EMEN1KMT2AGAAMAPT
SCHEMBL11963968 0.67 PLA2G7 (0.50) KDM4EMEN1KMT2ANPSR1GAA

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-116623196-A Synthesis method of electrically driven imine reductive alkylation product 华东理工大学 2023-08-22 — — CN disclosed
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