SCHEMBL11705441

SCHEMBL11705441

COC(=O)CCC(=O)c1ccc(O)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CA2 P00918 2/20 0.42
ESRRB O95718 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CTNNB1 P35222 1/20 0.41

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
SCHEMBL3668982 0.87 HPGD (0.53) POLBALDH1A1L3MBTL1TSHR
SCHEMBL10695452 0.81 TDP1 (0.45) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL11706074 0.80 CA2 (0.51) HSP90AA1HSP90AB1KMT2AALDH1A1LMNA
SCHEMBL2239062 0.80 HSP90AA1 (0.58) HSP90AA1HSP90AB1KMT2AMEN1MAPT
SCHEMBL11633970 0.79 KMT2A (0.40) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL11344938 0.79 CA1 (0.54) CA2CA12CA1CA7CA9
SCHEMBL9263357 0.78 KMT2A (0.60) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL6810549 0.78 L3MBTL1 (0.57) POLBMAPTALDH1A1L3MBTL1TSHR
SCHEMBL9373867 0.77 MEN1 (0.48) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL9471937 0.77 HSP90AA1 (0.51) HSP90AA1HSP90AB1KMT2AMEN1POLB

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-4011321-A 6-(3-SUBSTITUTED AMINO-2-HYDROXYPROPOXYARYL)-4,5-DIHYDRO-3(2H)-PYRIDAZINONES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-03-08 US disclosed