SCHEMBL2171944

SCHEMBL2171944

O=C1CCC(C(=O)Nc2ccc(Oc3ccc(F)cc3)cc2)N1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.70
MMP2 P08253 4/20 0.46
MMP13 P45452 3/20 0.46
MMP1 P03956 2/20 0.46
MMP3 P08254 2/20 0.46
MMP9 P14780 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.45
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.44
ENPP3 O14638 2/20 0.44
ENPP1 P22413 2/20 0.44
ENPP2 Q13822 1/20 0.44
NAMPT P43490 2/20 0.43

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
SCHEMBL16710257 0.86 POLB (0.54) POLBMMP2MMP13MMP1MMP3
SCHEMBL4999644 0.83 POLB (0.70) POLBMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7624989 0.82 POLB (0.69) POLBMEN1KMT2ASMN1; SMN2NAMPT
SCHEMBL7624993 0.82 POLB (0.69) POLBMEN1KMT2ASMN1; SMN2NAMPT
SCHEMBL13777929 0.78 POLB (0.64) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL31300398 0.78 POLB (0.56) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL2172458 0.78 HTR2C (0.55) POLBALDH1A1HPGDENPP3ENPP1
SCHEMBL2222163 0.78 POLB (0.63) POLBMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL2222173 0.78 POLB (0.63) POLBMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL954818 0.77 POLB (0.51) POLBMEN1KMT2ASMN1; SMN2ALDH1A1

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-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed