SCHEMBL11384809

SCHEMBL11384809

CCCCOc1ccccc1-c1nc2ccc(C(=O)OCC)cc2c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 1/20 0.56
▸ PDE5A O76074 17/20 0.55
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ MEN1 O00255 1/20 0.45
▸ PDE2A O00408 1/20 0.45
▸ PDE6D O43924 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ PDE9A O76083 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ PDE6A P16499 1/20 0.45
▸ PDE6G P18545 1/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ PDE6B P35913 1/20 0.45
▸ PDE6C P51160 1/20 0.45

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) GUSBPDE5AKDM4EALDH1A1HPGD
SCHEMBL11380722 0.90 PDE5A (0.59) GUSBPDE5AKDM4EALDH1A1HPGD
SCHEMBL11375840 0.88 ALDH1A1 (0.58) GUSBPDE5AKDM4EALDH1A1HPGD
SCHEMBL11375259 0.87 PDE5A (0.58) GUSBPDE5AKDM4EALDH1A1HPGD
SCHEMBL11374270 0.85 ALDH1A1 (0.55) GUSBPDE5AKDM4EALDH1A1HPGD
SCHEMBL11383679 0.85 PDE5A (0.66) GUSBPDE5AKDM4EALDH1A1HPGD
SCHEMBL11384695 0.83 GUSB (0.71) GUSBPDE5AMEN1MAPTPDE1A
SCHEMBL11374673 0.82 GUSB (0.58) GUSBPDE5AKDM4EALDH1A1HPGD
SCHEMBL11553644 0.82 ALDH1A1 (0.53) GUSBPDE5AKDM4EALDH1A1HPGD
SCHEMBL11550624 0.81 KDM4E (0.54) GUSBPDE5AKDM4EALDH1A1HPGD

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 disclosed
EP-0020883-A1 A process for preparing 3-beta-amino-4-beta-substituted 2-azetidinones and 3-(2,2-dihalogenovinyl)-imino-4-beta-substituted 2-azetidinone and 3-beta-(2,2-dihalogenovinyl)-amino-4-beta-substituted 2-azetidinone intermediates SHIONOGI & CO., LTD. (JP) 1981-01-07 — — EP disclosed
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