SCHEMBL7971395

SCHEMBL7971395

CCOC(=O)CCCCCCCC1CC2=C(C1)C(=O)C(OC)=C(OC)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CYP1A2 P05177 1/20 0.37
NAMPT P43490 1/20 0.37
APEX1 P27695 3/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EPHX2 P34913 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TBXAS1 P24557 1/20 0.36

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
SCHEMBL7974714 0.83 MAPT (0.35) ALDH1A1TDP1ALOX15CYP1A2CYP3A4
SCHEMBL7961496 0.81 ALDH1A1 (0.46) ALDH1A1TDP1ALOX15USP2PDE4A
SCHEMBL16670930 0.75 ALDH1A1 (0.60) ALDH1A1TDP1ALOX15USP2PDE4D
SCHEMBL11850612 0.75 ALDH1A1 (0.60) ALDH1A1TDP1ALOX15USP2PDE4D
SCHEMBL11848082 0.75 ALDH1A1 (0.60) ALDH1A1TDP1ALOX15USP2PDE4D
SCHEMBL4449957 0.75 ALDH1A1 (0.60) ALDH1A1TDP1ALOX15USP2PDE4D
SCHEMBL7977541 0.73 CYP4F2 (0.35) ALDH1A1TDP1ALOX15USP2CYP4F2
SCHEMBL11004376 0.73 ALDH1A1 (0.52) ALDH1A1TDP1ALOX15USP2CYP4F2
SCHEMBL7424483 0.72 ALDH1A1 (0.54) ALDH1A1TDP1ALOX15USP2CYP1A2
SCHEMBL7293121 0.72 ALDH1A1 (0.54) ALDH1A1TDP1ALOX15USP2CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed