SCHEMBL14190862

SCHEMBL14190862

CC(C)Oc1cc(CO)cc(OC(C)(C)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 10/20 0.56
▸ PPARA Q07869 9/20 0.56
▸ MGLL Q99685 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ SLC16A3 O15427 1/20 0.36

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
SCHEMBL1793221 0.82 KMT2A (0.49) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL2666313 0.81 PPARA (0.41) PPARGPPARAMGLLMEN1CYP1A2
SCHEMBL16955057 0.78 FFAR4 (0.42) MGLLALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL14190690 0.78 PPARA (0.40) PPARGPPARAMGLLMEN1CYP1A2
SCHEMBL5107914 0.77 GRIN2D (0.55) CYP1A2CYP2D6MAPTCYP2C19KMT2A
SCHEMBL1796030 0.75 KMT2A (0.51) MEN1KMT2AALDH1A1GRIN2DGRIN3B
SCHEMBL16957519 0.75 CYP4F2 (0.61) MEN1CYP3A4MAPTKMT2AALDH1A1
SCHEMBL16953625 0.73 GRIN2D (0.44) CYP1A2CYP2D6MAPTCYP2C19KMT2A
SCHEMBL9996916 0.73 PPARG (1.00) PPARGPPARAMEN1CYP1A2CYP3A4
SCHEMBL2666501 0.72 ALDH1A1 (0.41) MEN1KMT2AALDH1A1GRIN2DGRIN3B

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-1674097-B1 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2008-06-11 — — EP disclosed
Send feedback