SCHEMBL17219934

SCHEMBL17219934

CC(OCC(F)(F)F)c1ccc(C(=O)O)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
RXRA P19793 1/20 0.45
MAPT P10636 1/20 0.43
HCAR3 P49019 8/20 0.43
HCAR2 Q8TDS4 2/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
P4HA1 P13674 2/20 0.40
P4HTM Q9NXG6 2/20 0.40
MIF P14174 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CNR2 P34972 1/20 0.39
KCNH2 Q12809 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
SCHEMBL9952589 0.75 MAP4K4 (0.46) L3MBTL1RXRA
SCHEMBL100969 0.73 HCAR3 (0.56) MAPTHCAR3HCAR2ALDH1A1CYP1A2
SCHEMBL30043919 0.73 HCAR3 (0.56) MAPTHCAR3HCAR2ALDH1A1CYP1A2
SCHEMBL29488316 0.73 L3MBTL1 (1.00) L3MBTL1MAPTALDH1A1POLBMAPK1
SCHEMBL27866226 0.73 HCAR3 (0.49) L3MBTL1MAPTHCAR3HCAR2ALDH1A1
SCHEMBL458559 0.73 L3MBTL1 (1.00) L3MBTL1MAPTALDH1A1POLBMAPK1
SCHEMBL14967355 0.72 GCK (0.48) RXRAMAPTHCAR3HCAR2POLB
SCHEMBL25754457 0.71 HCAR3 (0.58) MAPTHCAR3HCAR2ALDH1A1CYP1A2
SCHEMBL28231895 0.71 HCAR3 (0.53) MAPTHCAR3HCAR2ALDH1A1CYP1A2
SCHEMBL27688524 0.71 HCAR3 (0.57) MAPTHCAR3HCAR2ALDH1A1CYP1A2

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
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed