SCHEMBL3718147

SCHEMBL3718147

CCC(C)OC(=O)C(Cc1c(F)cccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 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
SCHEMBL8009396 0.86 L3MBTL1 (0.47) FBP1MAPTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2672326 0.81 MEN1 (0.47)
SCHEMBL3714556 0.81 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1GAATSHR
SCHEMBL3718145 0.81 L3MBTL1 (0.49) MAPTSMN1; SMN2L3MBTL1ALDH1A1GAA
SCHEMBL2673151 0.74 CYP2D6 (0.48) AKR1C3AKR1C2ALDH1A1TSHRCYP1A2
SCHEMBL4035943 0.74 MAPT (0.44) MAPTL3MBTL1
SCHEMBL2672732 0.73 MEN1 (0.46) MAPTSMN1; SMN2L3MBTL1ALDH1A1GAA
SCHEMBL11496408 0.71 GRIA2 (0.43) MAPTSMN1; SMN2ALDH1A1GAATDP1
SCHEMBL5737042 0.70 KMT2A (0.48) SMN1; SMN2L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL335398 0.70 MAPT (0.51) MAPTTSHRCYP1A2

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
WO-2010116270-A1 EP2/4 AGONISTS PFIZER INC. (US) 2010-10-14 WO disclosed