SCHEMBL10089088

SCHEMBL10089088

CCOC(=O)C(C(=O)O)C(C)(C)c1cc(F)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
NR3C1 P04150 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
FBP1 P09467 1/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL379248 0.93 EPHX2 (0.39) EPHX2PPARGNR3C1MEN1KMT2A
SCHEMBL379249 0.86 MAPT (0.36) EPHX2PPARGNR3C1MEN1KMT2A
SCHEMBL8253229 0.72 MAPT (0.44) EPHX2PPARGMEN1KMT2AGAA
SCHEMBL7212419 0.72 PIN1 (0.46) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL5643829 0.71 NR3C1 (0.44) NR3C1FFAR1FFAR4
SCHEMBL3377851 0.70 CYP1A2 (0.39) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL14489353 0.70 MAPT (0.40) PPARGNR3C1MEN1KMT2AGAA
SCHEMBL379397 0.69 NR3C1 (0.47) NR3C1FFAR1FFAR4
SCHEMBL14340596 0.68 NR3C1 (0.52) NR3C1NPSR1ALDH1A1POLB
SCHEMBL12834754 0.68 MAPT (0.38) EPHX2PPARGMEN1KMT2AGAA

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-2280974-B1 STEREOSELECTIVE SYNTHESIS OF CERTAIN TRIFLUOROMETHYL-SUBSTITUTED ALCOHOLS BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed