SCHEMBL30744993

SCHEMBL30744993

O=C(OC1CCC1)c1ccc(OC2CCC2)c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
PDE4D Q08499 4/20 0.42
HTR3A P46098 3/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
KDM6B O15054 1/20 0.39
KDM6A O15550 1/20 0.39
TET3 O43151 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4B O94953 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
TET2 Q6N021 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
TET1 Q8NFU7 1/20 0.39
FTO Q9C0B1 1/20 0.39

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
SCHEMBL20944544 1.00 KDM4E (0.49) KDM4EMKNK1MKNK2PDE4DHTR3A
SCHEMBL20963907 0.89 KDM4E (0.64) KDM4EMKNK1MKNK2PDE4DPDE4A
SCHEMBL23233760 0.84 KDM4E (0.67) KDM4EPDE4DPDE4APDE4BPDE4C
SCHEMBL30744780 0.77 KDM4E (0.50) KDM4EPDE4DPDE4APDE4BPDE4C
SCHEMBL20064223 0.76 KDM4E (0.47) KDM4EPDE4DPDE4APDE4BPDE4C
SCHEMBL30744842 0.73 KDM4E (0.52) KDM4EPDE4DPDE4APDE4BPDE4C
SCHEMBL31134071 0.73 KDM4E (0.41) KDM4EPDE4DPDE4APDE4BPDE4C
SCHEMBL23212187 0.73 KDM4E (0.41) KDM4EPDE4DPDE4APDE4BPDE4C
SCHEMBL9050436 0.72 MCHR1 (0.57) KDM4EPDE4DPDE4APDE4BPDE4C
SCHEMBL20554735 0.72 MCHR1 (0.48) KDM4EMKNK1MKNK2PDE4DPDE4A

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-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed