SCHEMBL10197176

SCHEMBL10197176

CC(OC1=CCC(F)C=C1F)(C(=O)Nc1ccc(C(=O)O)cn1)c1ccc(F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 7/20 0.35
▸ GCK P35557 8/20 0.35
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ VNN1 O95497 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ MDM2 Q00987 1/20 0.32

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
SCHEMBL2657050 0.78 GCK (0.47) HCAR3GCKRARARARBRARG
SCHEMBL2656351 0.70 DEGS1 (0.42) HCAR3GCKRARARARBRARG
SCHEMBL2655247 0.67 GCK (0.65) GCK
SCHEMBL2655541 0.66 GCK (0.52) HCAR3GCKRARARARBRARG
SCHEMBL21062101 0.64 HCAR3 (0.58) HCAR3
SCHEMBL2655501 0.64 GCK (0.62) HCAR3GCKRARARARBRARG
SCHEMBL10932719 0.62 HCAR3 (0.58) HCAR3
SCHEMBL8554805 0.62 HCAR3 (0.59) HCAR3
SCHEMBL10198818 0.61 FFAR2 (0.38) GCK
SCHEMBL2656829 0.61 ALDH1A1 (0.58) HCAR3GCK

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-2125735-B1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2012-06-27 — — EP disclosed
Send feedback