SCHEMBL11380722

SCHEMBL11380722

CCCCOc1ccccc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.59
▸ GUSB P08236 1/20 0.57
▸ PDE4A P27815 4/20 0.47
▸ PDE4B Q07343 4/20 0.47
▸ PDE4C Q08493 4/20 0.47
▸ PDE4D Q08499 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PDE2A O00408 1/20 0.47
▸ PDE6D O43924 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ PDE9A O76083 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PDE6A P16499 1/20 0.47
▸ PDE6G P18545 1/20 0.47

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
SCHEMBL11375259 0.97 PDE5A (0.58) PDE5AGUSBPDE4APDE4BPDE4C
SCHEMBL11383679 0.95 PDE5A (0.66) PDE5AGUSBPDE4APDE4BPDE4C
SCHEMBL11384695 0.90 GUSB (0.71) PDE5AGUSBMAPTMEN1PDE1A
SCHEMBL11384809 0.90 GUSB (0.56) PDE5AGUSBPDE4APDE4BPDE4C
SCHEMBL11374673 0.90 GUSB (0.58) PDE5AGUSBPDE4APDE4BPDE4C
SCHEMBL11376529 0.89 PDE5A (0.48) PDE5AGUSBPDE4APDE4BPDE4C
SCHEMBL11381831 0.88 PDE5A (0.46) PDE5AGUSBMAPTKDM4EALDH1A1
SCHEMBL11375179 0.88 PDE5A (0.45) PDE5AGUSBMAPTKDM4EALDH1A1
SCHEMBL11551096 0.87 GUSB (0.48) PDE5AGUSBPDE4APDE4BPDE4C
SCHEMBL11549969 0.87 GUSB (0.49) PDE5AGUSBPDE4APDE4BPDE4C

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
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US claimed
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 — — US disclosed
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