SCHEMBL15906181

SCHEMBL15906181

COCc1ccc(OC)c(-c2cccc(C)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.49
PDE4D Q08499 3/20 0.49
CTSA P10619 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.43

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
SCHEMBL15906102 0.86 PDE4B (0.49) PDE4BPDE4DCTSASMN1; SMN2KDM4E
SCHEMBL15906187 0.86 PDE4B (0.49) PDE4BPDE4DCTSASMN1; SMN2KDM4E
SCHEMBL15906105 0.82 DRD4 (0.43) PDE4BPDE4DCTSASMN1; SMN2KDM4E
SCHEMBL16158623 0.81 PDE4B (0.46) PDE4BPDE4D
SCHEMBL15906152 0.80 HSD17B10 (0.50) CTSASMN1; SMN2KDM4ENPC1TSHR
SCHEMBL15906151 0.80 PDE4B (0.76) PDE4BPDE4D
SCHEMBL15906150 0.79 PDE4B (0.60) PDE4BPDE4D
SCHEMBL3795591 0.79 PDE4B (0.71) PDE4BPDE4DSMN1; SMN2RAB9A
SCHEMBL15906103 0.74 NLRP3 (0.46) PDE4BPDE4DCTSA
SCHEMBL14500803 0.71 PSMB5 (0.45) CTSASMN1; SMN2KDM4ENPC1TSHR

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-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed