SCHEMBL8400346

SCHEMBL8400346

COc1ccc(-c2cccc(C(=O)O)c2)c(OC2CCCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.57
PDE4B Q07343 4/20 0.57
PDE4A P27815 3/20 0.57
PDE4C Q08493 3/20 0.57
FFAR4 Q5NUL3 3/20 0.41
SYK P43405 1/20 0.41
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
TTK P33981 1/20 0.39
FOLH1 Q04609 1/20 0.39
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL7406024 0.73 PDE4A (1.00) PDE4DPDE4BPDE4APDE4CPOLB
SCHEMBL12171525 0.72 MYC (0.48) SYKKMT2APOLBTDP1PRKAG1
SCHEMBL19330203 0.69 KMT2A (0.52) PDE4DPDE4BPDE4APDE4CFFAR4
SCHEMBL29788032 0.69 POLB (0.57) POLBTDP1PRKAG1PRKAA1PRKAB1
SCHEMBL2044532 0.69 POLB (0.57) POLBTDP1PRKAG1PRKAA1PRKAB1
SCHEMBL930213 0.68 EPHX2 (0.59) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL30162751 0.68 EPHX2 (0.59) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL5179635 0.68 PDE4D (0.56) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL20021958 0.68 CNR1 (0.54) PDE4DPDE4BPDE4APDE4CFFAR4
SCHEMBL12949688 0.68 PDGFRB (0.48) PDE4DPDE4BPDE4APDE4CFFAR4

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
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed