SCHEMBL6149906

SCHEMBL6149906

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.46
OPRL1 P41146 1/20 0.41
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTPN7 P35236 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 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
SCHEMBL6149902 1.00 HIF1A (0.46) HIF1AOPRL1MAPTALDH1A1HPGD
SCHEMBL5079550 0.92 OPRL1 (0.40) HIF1AOPRL1MAPTALDH1A1HPGD
SCHEMBL5079546 0.92 HIF1A (0.56) HIF1AOPRL1MAPTALDH1A1HPGD
SCHEMBL5074634 0.90 HIF1A (0.45) HIF1AOPRL1MAPTALDH1A1HPGD
SCHEMBL5074639 0.90 HIF1A (0.45) HIF1AOPRL1MAPTALDH1A1HPGD
SCHEMBL5080482 0.84 OPRL1 (0.45) OPRL1MAPTALDH1A1HPGDNPSR1
SCHEMBL6149075 0.84 HIF1A (0.52) HIF1AOPRL1
SCHEMBL6149076 0.84 HIF1A (0.52) HIF1AOPRL1
SCHEMBL6151532 0.84 OPRL1 (0.42) OPRL1MAPTALDH1A1HPGDNPSR1
SCHEMBL5080481 0.84 OPRL1 (0.42) OPRL1MAPTALDH1A1HPGDNPSR1

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