SCHEMBL540040

SCHEMBL540040

O=C([AsH]c1ccc(Cl)cc1C(=O)O)c1ccc(C2=CCOCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
SERPINE1 P05121 4/20 0.38
SRD5A2 P31213 2/20 0.35
SRD5A1 P18405 1/20 0.35
FABP7 O15540 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
FABP5 Q01469 2/20 0.34
FABP3 P05413 1/20 0.34
BRD4 O60885 1/20 0.33
FAAH O00519 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
SCHEMBL29838632 0.78 SERPINE1 (0.63) SERPINE1CA1CA2
SCHEMBL415975 0.78 SERPINE1 (0.63) SERPINE1CA1CA2
SCHEMBL420951 0.73 IKBKE (0.44) IKBKETBK1SRD5A2FABP7ALDH1A1
SCHEMBL8651066 0.68 KMT2A (0.56) IKBKETBK1FABP7ALDH1A1FABP5
SCHEMBL20499591 0.67 MAPT (0.47) SRD5A2FABP7ALDH1A1CA1CA2
SCHEMBL15505016 0.66 SMN1; SMN2 (0.44) IKBKETBK1FABP7PIK3CDPIK3CA
SCHEMBL31705648 0.65 FABP7 (0.53) IKBKETBK1FABP7ALDH1A1PIK3CD
SCHEMBL3107969 0.65 FABP7 (0.53) IKBKETBK1FABP7ALDH1A1PIK3CD
SCHEMBL20898592 0.64 RAB9A (0.55) TP53NPC1RAB9ASMN1; SMN2
SCHEMBL26560458 0.63 HTR1D (0.43) IKBKETBK1FABP7PIK3CDPIK3CA

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
EP-2415755-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Renascience CO., LTD. (JP) 2012-02-08 EP disclosed