SCHEMBL11148014

SCHEMBL11148014

O=C(O)Cn1ccc(=O)c2ccc(=O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
RHEB Q15382 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
STAT3 P40763 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
GLA P06280 1/20 0.37
APEX1 P27695 1/20 0.36
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 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
SCHEMBL11635971 0.85 KMT2A (0.62) KMT2ASTAT3KDM4EALDH1A1MAPT
SCHEMBL14564434 0.80 KDM4E (0.47) KMT2APTGDR2KDM4EALDH1A1POLB
SCHEMBL16536117 0.76 ALDH1A1 (0.51) KMT2APTGDR2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL16536006 0.75 ALDH1A1 (0.50) KMT2APTGDR2KDM4EALDH1A1
SCHEMBL2989115 0.75 MAPT (0.43) KMT2AALDH1A1POLBMAPT
SCHEMBL11192940 0.70 KMT2A (0.47) KMT2ASTAT3KDM4EALDH1A1MAPT
SCHEMBL3169119 0.68 KMT2A (0.57) KMT2ARHEBSTAT3KDM4EALDH1A1
SCHEMBL23885112 0.68 KMT2A (0.45) KMT2ARHEBPTGDR2STAT3KDM4E
SCHEMBL30053871 0.68 KMT2A (0.45) KMT2ARHEBPTGDR2STAT3KDM4E
SCHEMBL20596484 0.67 GRIN1 (0.41) RHEBPTGDR2

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-4382088-A DIABETIC COMPLICATIONS, ALDOSE REDUCTASE INHIBITORS AYERST, MCKENNA & HARRISON, INC. (CA) 1983-05-03 US disclosed