SCHEMBL11378049

SCHEMBL11378049

CC(C)COc1ccccc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.55
▸ F2 P00734 1/20 0.48
▸ F10 P00742 1/20 0.48
▸ PLG P00747 1/20 0.48
▸ PLAU P00749 1/20 0.48
▸ PLAT P00750 1/20 0.48
▸ PDE5A O76074 9/20 0.48
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ MGLL Q99685 1/20 0.45
▸ TP53 P04637 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MDM2 Q00987 2/20 0.44

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
SCHEMBL11384695 0.88 GUSB (0.71) GUSBPDE5ATP53NPC1POLB
SCHEMBL11383679 0.86 PDE5A (0.66) GUSBPDE5APDE4APDE4BPDE4C
SCHEMBL11375677 0.86 PDE5A (0.54) GUSBPDE5ATP53NPC1POLB
SCHEMBL11380722 0.85 PDE5A (0.59) GUSBPDE5APDE4APDE4BPDE4C
SCHEMBL11382413 0.85 GUSB (0.59) GUSBPDE4APDE4BPDE4CPDE4D
SCHEMBL11377859 0.84 GUSB (0.51) GUSBPDE5ATP53NPC1POLB
SCHEMBL11375259 0.84 PDE5A (0.58) GUSBPDE5APDE4APDE4BPDE4C
SCHEMBL11374673 0.84 GUSB (0.58) GUSBPDE5APDE4APDE4BPDE4C
SCHEMBL11375830 0.83 GUSB (0.52) GUSBPDE5AMGLLTP53NPC1
SCHEMBL11385581 0.82 GUSB (0.54) GUSBF2F10PLGPLAU

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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