SCHEMBL1902995

SCHEMBL1902995

O=Cc1ccccc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
EPHX2 P34913 6/20 0.43
SCD O00767 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
PTGDR Q13258 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
RAD52 P43351 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
RBP4 P02753 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SRD5A1 P18405 1/20 0.40

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
SCHEMBL1901129 0.92 HRH1 (0.44) HRH1PTGDR2EPHX2SCDSMN1; SMN2
SCHEMBL8419333 0.87 GAA (0.57) SMN1; SMN2KDM4ENPY2RKMT2AALDH1A1
SCHEMBL24590680 0.86 TEAD3 (0.47) HRH1SCDKMT2ARBP4
SCHEMBL24590454 0.86 NAMPT (0.47) EPHX2SCDKMT2AALDH1A1MEN1
SCHEMBL18043823 0.85 PTGDR2 (0.46) HRH1PTGDR2SMN1; SMN2KMT2AALDH1A1
SCHEMBL2636817 0.85 PDE4B (0.44) HRH1PTGDR2EPHX2SCDRBP4
SCHEMBL24590535 0.85 NAMPT (0.49) SCDSMN1; SMN2KMT2AMEN1HPGD
SCHEMBL8417473 0.84 ALDH1A1 (0.53) SMN1; SMN2KDM4EALDH1A1
SCHEMBL2636818 0.84 SCD (0.47) HRH1PTGDR2SCDSMN1; SMN2KDM4E
SCHEMBL8327398 0.83 L3MBTL1 (0.49) HRH1KDM4EKMT2AALDH1A1MEN1

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-2315763-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-05-04 EP disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed