SCHEMBL11374673

SCHEMBL11374673

CCOCCOc1ccccc1-c1nc2ccc(C(=O)O)cc2c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 3/20 0.58
▸ PDE5A O76074 13/20 0.54
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PDE10A Q9Y233 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PDE2A O00408 1/20 0.44
▸ PDE6D O43924 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ PDE9A O76083 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HPGD P15428 1/20 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
SCHEMBL11378233 0.91 GUSB (0.55) GUSBPDE5AMAPTNPC1POLB
SCHEMBL11383679 0.91 PDE5A (0.66) GUSBPDE5AMAPTPDE10AKDM4E
SCHEMBL11384695 0.91 GUSB (0.71) GUSBPDE5AMAPTNPC1TP53
SCHEMBL11380722 0.90 PDE5A (0.59) GUSBPDE5AMAPTNPC1TP53
SCHEMBL11375259 0.89 PDE5A (0.58) GUSBPDE5AMAPTPDE10AKDM4E
SCHEMBL11554449 0.88 GUSB (0.47) GUSBPDE5AMAPTNPC1TP53
SCHEMBL11378049 0.84 GUSB (0.55) GUSBPDE5AMAPTNPC1TP53
SCHEMBL11382413 0.83 GUSB (0.59) GUSBPOLBKDM4EMEN1CYP1A2
SCHEMBL11550702 0.83 GUSB (0.42) GUSBMAPTNPC1TP53POLB
SCHEMBL11384809 0.82 GUSB (0.56) GUSBPDE5AMAPTPDE10AKDM4E

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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