SCHEMBL22009588

SCHEMBL22009588

C=C1C(=O)O[C@H]2c3c(C)c(OCc4c(C)cc(C)cc4C)cc(C)c3CCC12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UBE2D3 P61077 1/20 0.69
KCNH2 Q12809 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TAS2R46 P59540 2/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TERT O14746 1/20 0.32
PKM P14618 1/20 0.32
CYP19A1 P11511 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL22009589 1.00 UBE2D3 (0.69) UBE2D3KCNH2TRPV1TAS2R46MEN1
SCHEMBL20642949 1.00 UBE2D3 (0.69) UBE2D3KCNH2TRPV1TAS2R46MEN1
SCHEMBL22155341 0.89 UBE2D3 (0.68) UBE2D3TAS2R46MEN1RECQLKMT2A
SCHEMBL22155032 0.87 UBE2D3 (0.69) UBE2D3TAS2R46MEN1RECQLKMT2A
SCHEMBL20642973 0.87 UBE2D3 (0.69) UBE2D3TAS2R46MEN1RECQLKMT2A
SCHEMBL20642953 0.87 UBE2D3 (0.69) UBE2D3TAS2R46MEN1RECQLKMT2A
SCHEMBL20642925 0.87 UBE2D3 (0.71) UBE2D3MEN1RECQLKMT2ATDP1
SCHEMBL20642958 0.87 UBE2D3 (0.71) UBE2D3MEN1RECQLKMT2ATDP1
SCHEMBL20642970 0.85 UBE2D3 (0.75) UBE2D3TDP1HPGD
SCHEMBL20642945 0.85 UBE2D3 (0.85) UBE2D3TAS2R46MEN1RECQLKMT2A

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
EP-3653614-A1 TETRAHYDRONAPHTHO[1,2-B]FURAN-2(3H)-ONE DERIVATIVE AND PREPARATION AND USE THEREOF IN PHARMACEUTICALS Shanghai Qingdong Biotechnology Co., Ltd (CN) 2020-05-20 EP disclosed