SCHEMBL2645955

SCHEMBL2645955

COC(=O)/C(=C/CC1CCCC1)c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
LMNA P02545 2/20 0.39
SSTR3 P32745 2/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PDE4B Q07343 1/20 0.36
USP30 Q70CQ3 1/20 0.36
VNN1 O95497 1/20 0.36
PLA2G7 Q13093 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM1 P11229 1/20 0.35
EPHX2 P34913 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL2645960 1.00 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2LMNASSTR3
SCHEMBL2645855 0.84 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2SSTR3CES2
SCHEMBL2645851 0.84 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2SSTR3CES2
SCHEMBL2646968 0.80 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2LMNASSTR3
SCHEMBL2646970 0.80 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2LMNASSTR3
SCHEMBL2646055 0.78 KMT2A (0.47) EPHX2MEN1KMT2A
SCHEMBL2646052 0.78 KMT2A (0.47) EPHX2MEN1KMT2A
SCHEMBL2645445 0.77 CNR2 (0.38) TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL2645443 0.77 CNR2 (0.38) TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL2645406 0.74 EPHX2 (0.49) LMNAPDE4BALDH1A1NPC1RAB9A

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