SCHEMBL12820599

SCHEMBL12820599

CCCCCC(C)C/C(C)=C/CCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.46
FFAR4 Q5NUL3 1/20 0.46
FFAR1 O14842 1/20 0.46
PPARG P37231 5/20 0.45
MAPT P10636 3/20 0.45
FABP4 P15090 3/20 0.45
BLM P54132 3/20 0.45
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.45
HSD17B10 Q99714 3/20 0.45
USP2 O75604 2/20 0.45
LMNA P02545 2/20 0.45
CYP19A1 P11511 2/20 0.45
ALOX15 P16050 2/20 0.45
NR4A2 P43354 2/20 0.45
RECQL P46063 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 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
SCHEMBL12820601 0.87 ALDH1A1 (0.44) ALDH1A1TP53PTPN1DUSP3
SCHEMBL12820597 0.82 DGKA (0.44) MAPTALDH1A1HPGDFAAH
SCHEMBL5358635 0.81 EP300 (0.46) TOP1PPARGMAPTFABP4BLM
SCHEMBL5358639 0.81 EP300 (0.46) TOP1PPARGMAPTFABP4BLM
SCHEMBL5365746 0.79 GRIK1 (0.42) MAPTFABP4BLMHSD17B10USP2
SCHEMBL5365750 0.79 GRIK1 (0.42) MAPTFABP4BLMHSD17B10USP2
SCHEMBL28895848 0.78 ACE2 (0.46) FFAR4FFAR1PPARGPPARDPTPN1
SCHEMBL7949343 0.77 PPARG (0.63) TOP1FFAR4FFAR1PPARGMAPT
SCHEMBL8382908 0.77 PPARG (0.63) TOP1FFAR4FFAR1PPARGMAPT
SCHEMBL7949394 0.77 PPARG (0.63) TOP1FFAR4FFAR1PPARGMAPT

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
WO-2011029099-A1 COMPOUNDS FOR TREATING DISORDERS OR DISEASES ASSOCIATED WITH NEUROKININ 2 RECEPTOR ACTIVITY UNITED PARAGON ASSOCIATES INC. (CA) 2011-03-10 WO disclosed