SCHEMBL2659622

SCHEMBL2659622

CC(C)n1cc(C(=O)O)c2ccc(S(C)(=O)=O)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PLA2G4A P47712 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL12180230 0.81 LMNA (0.43) LMNAAKR1C3AKR1C2
SCHEMBL1622103 0.80 MYC (0.42) LMNAAKR1C3AKR1C1MEN1KMT2A
SCHEMBL2706652 0.80 CA12 (0.41) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL2642568 0.80 CSNK2A1 (0.42) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL2642632 0.78 PTGDR2 (0.42) MEN1KMT2AALDH1A1PLA2G4APTGDR2
SCHEMBL2643375 0.78 PTGDR2 (0.40) LMNAALDH1A1PTGDR2CA12CA1
SCHEMBL2643062 0.77 MCL1 (0.47) AKR1C3AKR1C2MEN1KMT2ACA12
SCHEMBL2643559 0.77 ALDH1A1 (0.46) MEN1KMT2AALDH1A1
SCHEMBL2643501 0.76 KDM4E (0.48) LMNAAKR1C3AKR1C2ALDH1A1CA12
SCHEMBL2642800 0.75 ALDH1A1 (0.44) MEN1KMT2ACNR1CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549638-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-06 EP disclosed
WO-2004031179-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed