SCHEMBL7978633

SCHEMBL7978633

CC(Oc1ccc(-c2cccc(CC(=O)N3CCOCC3)c2)cc1)C(CCc1cccnc1)OC(=O)C(=O)OC(CCc1cccnc1)C(C)Oc1ccc(-c2cccc(CC(=O)N3CCOCC3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PTAFR P25105 2/20 0.39
HPGD P15428 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
GRIN2B Q13224 2/20 0.36
GRIN1 Q05586 1/20 0.36
LRRK2 Q5S007 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PIK3CA P42336 1/20 0.35

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
Oxalic Acid SCHEMBL7978632 0.88 MAPT (0.43) MAPTALOX15HSD17B10ALDH1A1PTAFR
SCHEMBL7980204 0.81 PTAFR (0.45) PTAFRHPGDHTTGRIN2BGRIN1
SCHEMBL7966043 0.81 PTAFR (0.45) PTAFRHPGDHTTGRIN2BGRIN1
SCHEMBL7980157 0.78 PTAFR (0.42) MAPTALDH1A1PTAFRHPGDKMT2A
SCHEMBL7982543 0.75 ALDH1A1 (0.43) MAPTHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL7982544 0.75 ALDH1A1 (0.43) MAPTHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL7982986 0.72 FKBP1A (0.47) ALDH1A1KMT2AMEN1CCNCCDK8
SCHEMBL7982982 0.72 FKBP1A (0.47) ALDH1A1KMT2AMEN1CCNCCDK8
SCHEMBL7966272 0.71 PTAFR (0.45) PTAFRHPGDHTTPOLB
SCHEMBL7979963 0.71 PTAFR (0.47) PTAFRHPGDHTTEPHX2LMNA

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
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed