SCHEMBL7860935

SCHEMBL7860935

CCCCCCCCCCCCCCCCOc1ccc(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)c(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ PDE5A O76074 4/20 0.35
▸ PDE4A P27815 3/20 0.35
▸ PDE4B Q07343 3/20 0.35
▸ PDE4C Q08493 3/20 0.35
▸ PDE4D Q08499 3/20 0.35
▸ MCHR1 Q99705 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31

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
SCHEMBL7867501 1.00 STAT3 (0.40) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL9425127 0.88 PDE5A (0.41) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL30733335 0.81 STAT3 (0.47) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL15282931 0.81 STAT3 (0.44) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL9425136 0.80 PDE5A (0.44) PDE5APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL27856204 0.79 STAT3 (0.50) STAT3STAT1
SCHEMBL14848838 0.78 STAT3 (0.44) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL21523873 0.77 STAT3 (0.53) STAT3STAT1
SCHEMBL29395084 0.77 STAT3 (0.50) STAT3STAT1PDE5APDE4APDE4B
SCHEMBL15298526 0.77 STAT3 (0.41) STAT3STAT1PDE5APDE4APDE4B

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-1107971-A1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM Destiny Pharma Limited (GB) 2001-06-20 — — EP disclosed
WO-2000012512-A1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM DESTINY PHARMA LIMITED (GB) 2000-03-09 — — WO disclosed
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