SCHEMBL29204573

SCHEMBL29204573

CNc1coc(-c2ccc(OC(F)F)c(OC(C)C)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SHMT2 P34897 1/20 0.34
GRM2 Q14416 3/20 0.33
S1PR1 P21453 5/20 0.33

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
SCHEMBL4279374 0.95 PDE4D (0.36) PDE4DPDE4APDE4BPDE4CPDE3B
Hydrochloric Acid SCHEMBL29204567 0.85 DHODH (0.36) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL5593172 0.81 MAPT (0.45) PDE4DPDE4APDE4BPDE4CHPGD
Hydrochloric Acid SCHEMBL29204594 0.80 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL19090202 0.80 PTPN11 (0.36) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL15521503 0.80 PDE4B (0.33) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL15521501 0.80 GRM2 (0.36) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL15521504 0.80 NOS3 (0.35) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL19066435 0.79 HDAC1 (0.42) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL17037213 0.79 HDAC1 (0.39) PDE4DPDE4APDE4BPDE4CPDE3B

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-116354931-A Substituted oxazole derivative and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed