SCHEMBL21852902

SCHEMBL21852902

CC(=O)c1ccc(C(F)(F)F)cc1C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.55
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
KDM4E B2RXH2 2/20 0.53
USP2 O75604 1/20 0.53
CYP2C19 P33261 1/20 0.53
CFTR P13569 1/20 0.50
SORT1 Q99523 4/20 0.48
NOTUM Q6P988 1/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
CES1 P23141 1/20 0.43
ALOX15 P16050 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL168327 0.90 KDM4E (0.61) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL18291815 0.86 ALDH1A1 (0.56) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL2001145 0.84 CES2 (0.72) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL2073688 0.84 CES2 (0.52) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL30062195 0.84 CES2 (0.52) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL24215273 0.84 CES2 (0.52) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL3925394 0.84 CES2 (0.52) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL320481 0.84 CES2 (0.52) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL31004884 0.84 CES2 (0.72) CES2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL29786688 0.84 CES2 (0.52) CES2ALDH1A1HPGDHSD17B10KDM4E

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-2020063938-A1 METAL-SULFUR BATTERY 深圳新宙邦科技股份有限公司 2020-04-02 WO disclosed