SCHEMBL29994875

SCHEMBL29994875

FC(F)Oc1ccccc1OCC1CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.53
PDE4D Q08499 11/20 0.53
PDE4A P27815 11/20 0.53
PDE4C Q08493 9/20 0.53
RIPK1 Q13546 1/20 0.49
ABCB11 O95342 1/20 0.44
HTR2C P28335 2/20 0.44

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
SCHEMBL18830718 1.00 PDE4B (0.53) PDE4BPDE4DPDE4APDE4CRIPK1
SCHEMBL27880771 0.81 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CRIPK1
SCHEMBL2323354 0.80 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL8069054 0.79 ALDH1A1 (0.60) PDE4BPDE4DPDE4APDE4C
SCHEMBL23982177 0.79 PDE4D (0.56) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL131011 0.79 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL8854690 0.79 PDE4D (0.60) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1157286 0.79 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL6879083 0.79 PDE4B (0.60) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL28813439 0.79 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CRIPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354862-A Substituted azacyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed
CN-115197190-A Novel plant flavone derivative and preparation method and application thereof 中国海洋大学 2022-10-18 CN disclosed