SCHEMBL11089293

SCHEMBL11089293

O=C(OC1=C(c2ccccc2Cl)C(=O)CC1)OC1=C(c2ccccc2Cl)C(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.42
▸ HSP90AB1 P08238 2/20 0.42
▸ GSK3B P49841 5/20 0.36
▸ BCHE P06276 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ STK10 O94804 3/20 0.34
▸ SLK Q9H2G2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ GSK3A P49840 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL11094856 0.84 KMT2A (0.40) HSP90AA1HSP90AB1GSK3BALDH1A1KMT2A
SCHEMBL10898611 0.78 STK10 (0.42) HSP90AA1HSP90AB1GSK3BMAPTSTK10
SCHEMBL11091234 0.78 ALDH1A1 (0.46) HSP90AA1HSP90AB1MAPTALDH1A1KMT2A
SCHEMBL11095288 0.71 MEN1 (0.46) MAPTALDH1A1KMT2APOLBMEN1
SCHEMBL10898696 0.70 LMNA (0.39) NOTUMMAPTALDH1A1KMT2APOLB
SCHEMBL10731396 0.69 LMNA (0.41) HSP90AA1HSP90AB1NOTUMMAPTALDH1A1
SCHEMBL1637924 0.67 AKR1C3 (0.44) HSP90AA1HSP90AB1BCHEALDH1A1KMT2A
SCHEMBL1637928 0.65 CYP2A6 (0.52) MAPTKMT2AMEN1SMN1; SMN2
Bicarbonate SCHEMBL4865957 0.62 CYP2A6 (0.59) HSP90AA1HSP90AB1MAPTALDH1A1KMT2A
Bicarbonate SCHEMBL11009844 0.62 CYP2A6 (0.59) HSP90AA1HSP90AB1MAPTALDH1A1KMT2A

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-4436666-A HERBICIDES, MITICIDWS UNION CARBIDE CORPORATION (US) 1984-03-13 — — US disclosed
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