SCHEMBL11628682

SCHEMBL11628682

CCCCOc1ccccc1-c1ncc(C(=O)OCC)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
PDE5A O76074 14/20 0.49
GAA P10253 1/20 0.48
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
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
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
PDE6A P16499 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
SCHEMBL9296772 0.94 KDM4E (0.54) KDM4EALDH1A1L3MBTL1PDE5APDE4A
SCHEMBL11628793 0.91 KDM4E (0.57) KDM4EALDH1A1L3MBTL1PDE5AGAA
SCHEMBL8294627 0.87 KDM4E (0.62) KDM4EALDH1A1L3MBTL1GAAMEN1
SCHEMBL11710197 0.87 PDE5A (0.54) KDM4EALDH1A1PDE5APDE4APDE4B
SCHEMBL11626599 0.86 MEN1 (0.51) KDM4EALDH1A1PDE5APDE4APDE4B
SCHEMBL11628765 0.86 KDM4E (0.53) KDM4EALDH1A1L3MBTL1PDE5AGAA
SCHEMBL11628488 0.86 KDM4E (0.53) KDM4EALDH1A1L3MBTL1GAAMAPT
SCHEMBL11626631 0.85 KDM4E (0.52) KDM4EALDH1A1L3MBTL1PDE5AGAA
SCHEMBL11628474 0.84 KDM4E (0.53) KDM4EALDH1A1L3MBTL1PDE5AGAA
SCHEMBL11628709 0.84 KDM4E (0.51) KDM4EALDH1A1L3MBTL1PDE5AGAA

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-4082751-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-04-04 US disclosed
US-4031093-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1977-06-21 US disclosed