SCHEMBL29140531

SCHEMBL29140531

CCCCCCOc1cccc(OCCCCCC)c1-c1cc2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.43
▸ PDE4A P27815 4/20 0.43
▸ PDE4B Q07343 4/20 0.43
▸ PDE4C Q08493 4/20 0.43
▸ PDE4D Q08499 4/20 0.43
▸ MCHR1 Q99705 3/20 0.39
▸ TLR8 Q9NR97 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ GCGR P47871 3/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ IKBKB O14920 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL29901368 0.83 PDE5A (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL9425136 0.83 PDE5A (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL29140523 0.82 PDE5A (0.37) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL30733335 0.82 STAT3 (0.47) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28493239 0.81 HPGD (0.41) LMNACYP3A4HTR2B
SCHEMBL28839762 0.81 PLA2G2A (0.36) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28436254 0.81 HPGD (0.41) LMNACYP3A4HTR2B
SCHEMBL9425127 0.79 PDE5A (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14848838 0.79 STAT3 (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28839759 0.78 TSHR (0.55) TSHR

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
CN-117425361-A Porphyrin passivation perovskite nano film material and preparation and application thereof 同济大学 2024-01-19 — — CN disclosed
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