SCHEMBL13540503

SCHEMBL13540503

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)Oc1cc(C(F)(F)F)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
PTGS2 P35354 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPT P10636 2/20 0.39
CYP19A1 P11511 2/20 0.39
RXRA P19793 2/20 0.39
PPARG P37231 2/20 0.39
OXER1 Q8TDS5 2/20 0.39
FFAR1 O14842 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL5941832 0.88 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP2C19KDM4EUSP2
SCHEMBL1820208 0.88 KDM4E (0.42) ALDH1A1HSD17B10CYP2C19KDM4EUSP2
SCHEMBL16623994 0.88 KDM4E (0.42) ALDH1A1HSD17B10CYP2C19KDM4EUSP2
SCHEMBL1820204 0.88 KDM4E (0.42) ALDH1A1HSD17B10CYP2C19KDM4EUSP2
SCHEMBL5941812 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP2C19KDM4EUSP2
SCHEMBL5941930 0.81 CNR1 (0.45) ALDH1A1HSD17B10CYP2C19KDM4EUSP2
SCHEMBL5942150 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2C19KDM4EUSP2
SCHEMBL5942132 0.78 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP2C19KDM4EUSP2
SCHEMBL16626063 0.78 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP2C19KDM4EUSP2
SCHEMBL5941847 0.78 CNR1 (0.41) ALDH1A1HSD17B10CYP2C19KDM4EUSP2

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-2010006085-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2010-01-14 WO disclosed