SCHEMBL6603074

SCHEMBL6603074

CCC(=O)CC(=O)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.53
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
KAT6A Q92794 2/20 0.45
EPHX2 P34913 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CTSK P43235 1/20 0.40
F2R P25116 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
P2RX7 Q99572 2/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
CD38 P28907 1/20 0.38

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
SCHEMBL4873112 0.87 CTSS (0.55) CTSSTAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL8439499 0.86 LMNA (0.53) LMNAGAAF2RTAS2R14POLB
SCHEMBL1198865 0.78 CTSS (0.48) CTSSTAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL4868895 0.78 CTSS (0.48) CTSSTAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL21822705 0.77 NPC1 (0.57) CTSSKAT6AHDAC8LMNAGAA
SCHEMBL13752996 0.77 CTSS (0.61) CTSSTAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL377350 0.75 CTSS (0.51) CTSSTAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL29723227 0.75 CTSS (0.51) CTSSTAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL13753110 0.75 CTSS (0.59) CTSSTAS1R3TAS1R1TAS1R2KAT6A
SCHEMBL28188796 0.75 KAT6A (0.51) CTSSTAS1R3TAS1R1TAS1R2KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102757-B1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LTD (GB) 2004-04-14 EP disclosed
EP-1102757-A1 SUBSTITUTED OXAZOLE AND THIAZOLE DERIVATIVES AS HPPAR GAMMA AND HPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2001-05-30 EP disclosed
WO-2000008002-A1 SUBSTITUTED OXAZOLES AND THIAZOLES DERIVATIVES AS hPPAR GAMMA AND hPPAR ALPHA ACTIVATORS GLAXO GROUP LIMITED (GB) 2000-02-17 WO disclosed