SCHEMBL6151533

SCHEMBL6151533

COC=C(C(=O)O)c1ccccc1COc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.41
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PTPN7 P35236 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6151528 1.00 OPRL1 (0.41) OPRL1MAPTNPSR1ALDH1A1HPGD
SCHEMBL5080480 0.92 ALDH1A1 (0.41) OPRL1MAPTNPSR1ALDH1A1HPGD
SCHEMBL6151532 0.92 OPRL1 (0.42) OPRL1MAPTNPSR1ALDH1A1HPGD
SCHEMBL5080482 0.84 OPRL1 (0.45) OPRL1MAPTNPSR1ALDH1A1HPGD
SCHEMBL6149506 0.84 MRGPRX4 (0.41) OPRL1THRATHRB
SCHEMBL6149503 0.84 MRGPRX4 (0.41) OPRL1THRATHRB
SCHEMBL6151189 0.84 PTGER4 (0.38) THRATHRBMAOB
SCHEMBL6151185 0.84 PTGER4 (0.38) THRATHRBMAOB
SCHEMBL5080481 0.84 OPRL1 (0.42) OPRL1MAPTNPSR1ALDH1A1HPGD
SCHEMBL6149906 0.84 HIF1A (0.46) OPRL1MAPTNPSR1ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494991-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES Isagro Ricerca S.r.l. (IT) 2005-01-12 EP disclosed
WO-2003087032-A1 ANALOGOUS COMPOUNDS OF STROBILURINES AND THEIR USE AS ACARICIDES AND INSECTICIDES ISAGRO RICERCA S.R.L. (IT) 2003-10-23 WO disclosed