SCHEMBL11552873

SCHEMBL11552873

CCCOc1ccc(OC)c(-c2nc3ccc(C(=O)O)cc3c(=O)[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.44
▸ GUSB P08236 1/20 0.44
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ PLA2G4B P0C869 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ CHEK2 O96017 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL11552844 0.92 GUSB (0.49) PDE5AGUSBTP53POLBMAPT
SCHEMBL11556538 0.92 TSHR (0.47) GUSBPDE4APDE4BPDE4CPDE4D
SCHEMBL11550702 0.92 GUSB (0.42) GUSBPDE4APDE4BPDE4CPDE4D
SCHEMBL11375670 0.89 GUSB (0.56) GUSBTP53POLBMAPTTDP1
SCHEMBL11549969 0.88 GUSB (0.49) PDE5AGUSBPDE4APDE4BPDE4C
SCHEMBL11550692 0.87 LMNA (0.43) GUSBPDE4APDE4BPDE4CPDE4D
SCHEMBL11554058 0.86 GUSB (0.51) PDE5AGUSBTP53POLBMAPT
SCHEMBL11552075 0.85 GUSB (0.47) GUSBTP53POLBMAPTTDP1
SCHEMBL11380547 0.82 MGLL (0.48) GUSBPDE4APDE4BPDE4CPDE4D
SCHEMBL11383679 0.82 PDE5A (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 — — US disclosed
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