SCHEMBL2646970

SCHEMBL2646970

COC(=O)C(=CC1CCCCC1)c1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 2/20 0.46
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SSTR3 P32745 2/20 0.38
PDE4D Q08499 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL2646968 1.00 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL2645435 0.83 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL2645437 0.83 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL2650928 0.81 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2PDE4D
SCHEMBL2647437 0.80 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2SSTR3KMT2A
SCHEMBL2647434 0.80 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2SSTR3KMT2A
SCHEMBL2645960 0.80 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL2645955 0.80 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2NPC1RAB9A
SCHEMBL6174781 0.79 F10 (0.35) RAB9A
SCHEMBL6174776 0.79 F10 (0.35) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 US disclosed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO disclosed