SCHEMBL3430506

SCHEMBL3430506

CC(C(N)=O)c1ccccc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 10/20 0.42
▸ PDE4B Q07343 9/20 0.42
▸ PDE4D Q08499 9/20 0.42
▸ PDE4C Q08493 8/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ MAPK14 Q16539 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ KAT2B Q92831 1/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.39
▸ CXCL8 P10145 1/20 0.39
▸ PARP10 Q53GL7 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
SCHEMBL15077043 0.79 PDE4A (0.42) PDE4A
SCHEMBL17972910 0.78 CARM1 (0.43) PDE4A
SCHEMBL22426537 0.78 CARM1 (0.43) PDE4A
SCHEMBL9729192 0.77 KMT2A (0.53) PTGS1PTGS2CXCL8
SCHEMBL4554195 0.77 KMT2A (0.53) PTGS1PTGS2CXCL8
SCHEMBL7330787 0.74 IRAK4 (0.59) CXCL8PARP10
SCHEMBL23057958 0.74 KDM4E (0.48) PDE4APDE4BPDE4DPDE4C
SCHEMBL28968076 0.73 CYP19A1 (0.56) CYP19A1
SCHEMBL7163802 0.73 KCNH2 (0.56) PDE4APDE4BPDE4DPDE4CKAT2B
SCHEMBL9321170 0.73 CXCL8 (0.54) PTGS1PTGS2CXCL8

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
EP-2254879-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2010-12-01 — — EP claimed
WO-2009084034-A2 CHROMANE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S. A. (CH) 2009-07-09 — — WO claimed
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