SCHEMBL5334244

SCHEMBL5334244

O=C(CN1CCCCC1)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.97
MEN1 O00255 3/20 0.97
KMT2A Q03164 3/20 0.97
GLA P06280 1/20 0.97
HPGD P15428 4/20 0.86
LMNA P02545 5/20 0.76
GAA P10253 3/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
MAPT P10636 3/20 0.74
NPC1 O15118 2/20 0.72
KDM4E B2RXH2 2/20 0.72
TP53 P04637 1/20 0.70
RAB9A P51151 1/20 0.70
LTA4H P09960 2/20 0.69
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.65

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
SCHEMBL6081392 0.89 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AGLAHPGD
Hydrochloric Acid SCHEMBL11797478 0.88 HPGD (0.84) ALDH1A1MEN1KMT2AGLAHPGD
SCHEMBL5661923 0.87 LMNA (0.91) ALDH1A1MEN1KMT2AGLAHPGD
SCHEMBL5662678 0.87 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AGLAHPGD
SCHEMBL6795359 0.87 ALDH1A1 (0.94) ALDH1A1MEN1KMT2AGLAHPGD
SCHEMBL5336810 0.86 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AGLAHPGD
SCHEMBL5336327 0.86 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AGLAHPGD
SCHEMBL5663066 0.86 LMNA (1.00) ALDH1A1MEN1KMT2AGLAHPGD
SCHEMBL27402246 0.86 GAA (0.77) ALDH1A1MEN1KMT2AGLAHPGD
SCHEMBL5661692 0.86 ALDH1A1 (0.74) ALDH1A1MEN1KMT2AGLAHPGD

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
WO-2007079003-A2 AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO claimed
WO-2007079003-A2 AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed