SCHEMBL6157649

SCHEMBL6157649

COC=C(C(=O)O)c1ccccc1COc1cc(Cl)c(OCC#N)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39
NR4A2 P43354 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.37
MRGPRX4 Q96LA9 3/20 0.37
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
RIN1 Q13671 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6157644 1.00 HTT (0.39) HTTPOLBALOX15NR4A2RAB9A
SCHEMBL5074554 0.91 HIF1A (0.39) HTTPOLBALOX15NR4A2RAB9A
SCHEMBL6151594 0.90 HTT (0.40) HTTNR4A2RAB9ANPC1TP53
SCHEMBL6151596 0.90 HTT (0.40) HTTNR4A2RAB9ANPC1TP53
SCHEMBL5075974 0.88 RAB9A (0.46) HTTNR4A2RAB9ANPC1TP53
SCHEMBL5075979 0.88 RAB9A (0.46) HTTNR4A2RAB9ANPC1TP53
SCHEMBL5079482 0.87 MRGPRX4 (0.44) HTTNR4A2RAB9ANPC1TP53
SCHEMBL5079484 0.87 MRGPRX4 (0.44) HTTNR4A2RAB9ANPC1TP53
SCHEMBL6151249 0.87 HIF1A (0.44) HTTRAB9ANPC1TP53MRGPRX4
SCHEMBL6151245 0.87 HIF1A (0.44) HTTRAB9ANPC1TP53MRGPRX4

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