SCHEMBL8005356

SCHEMBL8005356

COC(=O)c1cc(C(=O)O)cc(-c2cc(Cl)ccc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 5/20 0.44
TP53 P04637 1/20 0.44
F11 P03951 1/20 0.43
ALPL P05186 1/20 0.42
SRD5A2 P31213 1/20 0.41
PLAU P00749 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PTGER1 P34995 2/20 0.41
ABL1 P00519 1/20 0.41
TPMT P51580 1/20 0.41
TTR P02766 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 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
SCHEMBL7995380 0.86 CA1 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8818855 0.86 CA12 (0.53) MAPTMEN1KMT2AALDH1A1PLAU
SCHEMBL7995531 0.79 CA1 (0.50) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8444679 0.79 ALDH1A1 (0.54) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL8005080 0.78 KMT2A (0.51) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL30045029 0.78 TPMT (0.61) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2159357 0.78 TPMT (0.61) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2410383 0.78 ALDH1A1 (0.57) MEN1KMT2AALDH1A1PTGER1TPMT
SCHEMBL6252554 0.78 ALDH1A1 (0.51) MAPTMEN1KMT2AALDH1A1SRD5A2
SCHEMBL8815952 0.77 S1PR4 (0.43) MAPTMEN1KMT2AALDH1A1PLAU

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017917-A Guanidine derivatives FUJISAWA PHARAMCEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0876338-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997025310-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-17 WO disclosed