SCHEMBL9425136

SCHEMBL9425136

CCCCCCCCCCCCOc1cccc(-c2c(-c3cccc(OCCCCCCCCCCCC)c3OCCCCCCCCCCCC)c3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)c1OCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 7/20 0.44
▸ PDE4A P27815 4/20 0.44
▸ PDE4B Q07343 4/20 0.44
▸ PDE4C Q08493 4/20 0.44
▸ PDE4D Q08499 4/20 0.44
▸ MCHR1 Q99705 2/20 0.37
▸ GCGR P47871 2/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ TLR8 Q9NR97 2/20 0.35
▸ TSHR P16473 2/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ PTPN11 Q06124 1/20 0.32

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
SCHEMBL9425127 0.88 PDE5A (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL29140531 0.83 PDE5A (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28087191 0.81 STAT3 (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28169160 0.81 STAT3 (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7867501 0.80 STAT3 (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7860935 0.80 STAT3 (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28839759 0.77 TSHR (0.55) TSHR
SCHEMBL28246174 0.77 HPGD (0.42) LMNAMAPT
SCHEMBL30733335 0.76 STAT3 (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL29901368 0.75 PDE5A (0.48) PDE5APDE4APDE4BPDE4CPDE4D

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
JP-6263762-A — — None — — JP disclosed
JP-H06263762-A PHYNYLPORPHYRIN COMPOUND YAMAMOTO IWAO 1994-09-20 — — JP disclosed
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