SCHEMBL11551096

SCHEMBL11551096

CCCCOc1c(OC)cccc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ PDE5A O76074 4/20 0.47
▸ TP53 P04637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MDM2 Q00987 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ HDAC6 Q9UBN7 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
SCHEMBL11549471 0.91 GUSB (0.53) GUSBPDE5ATP53NPC1POLB
SCHEMBL11554449 0.91 GUSB (0.47) GUSBPDE5ATP53NPC1POLB
SCHEMBL11549248 0.88 GUSB (0.56) GUSBTP53NPC1POLBMAPT
SCHEMBL11380722 0.87 PDE5A (0.59) GUSBPDE5ATP53NPC1POLB
SCHEMBL11554055 0.85 GUSB (0.55) GUSBPDE5ATP53NPC1POLB
SCHEMBL11553024 0.85 GUSB (0.57) GUSBPDE5ATP53NPC1POLB
SCHEMBL11375259 0.84 PDE5A (0.58) GUSBPDE5AMAPTMEN1KMT2A
SCHEMBL11553336 0.84 GUSB (0.51) GUSBPDE5ATP53NPC1POLB
SCHEMBL11556023 0.84 GUSB (0.51) GUSBPDE5ATP53NPC1POLB
SCHEMBL11554463 0.83 GUSB (0.51) GUSBPDE5ATP53NPC1POLB

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