SCHEMBL11550702

SCHEMBL11550702

CCOCCOc1ccc(OC)c(-c2nc3ccc(C(=O)O)cc3c(=O)[nH]2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.42
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ PLA2G4B P0C869 1/20 0.41
▸ POLB P06746 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ CHEK2 O96017 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39

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
SCHEMBL11552873 0.92 PDE5A (0.44) GUSBPDE4APDE4BPDE4CPDE4D
SCHEMBL11556538 0.91 TSHR (0.47) GUSBPDE4APDE4BPDE4CPDE4D
SCHEMBL296141 0.86 PLA2G4B (0.41) PDE3BPDE3AP2RY12PDE4APDE4B
SCHEMBL11375670 0.86 GUSB (0.56) GUSBPOLBTP53MAPTTDP1
SCHEMBL11552844 0.86 GUSB (0.49) GUSBPOLBTP53MAPTTDP1
SCHEMBL11554058 0.85 GUSB (0.51) GUSBPOLBTP53MAPTTDP1
SCHEMBL11373870 0.84 GUSB (0.55) GUSBPDE3BPDE3AP2RY12CHEK2
SCHEMBL11554449 0.84 GUSB (0.47) GUSBPDE4APDE4BPDE4CPDE4D
SCHEMBL11550692 0.84 LMNA (0.43) GUSBPDE4APDE4BPDE4CPDE4D
SCHEMBL11549969 0.84 GUSB (0.49) GUSBPDE4APDE4BPDE4CPDE4D

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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