SCHEMBL8596757

SCHEMBL8596757

COC=C(C(=O)O)c1cccc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
MRGPRX4 Q96LA9 2/20 0.47
MAOB P27338 4/20 0.46
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
FFAR1 O14842 1/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NR4A2 P43354 2/20 0.43
SLC16A3 O15427 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
APP P05067 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL8596746 1.00 ALOX5 (0.48) ALOX5MRGPRX4MAOBPLAUPLAT
SCHEMBL8596749 0.90 ALOX5 (0.51) ALOX5MRGPRX4MAOBPLAUPLAT
SCHEMBL8631167 0.85 MTNR1A (0.48) KMT2AMTNR1A
SCHEMBL8631166 0.85 MTNR1A (0.48) KMT2AMTNR1A
SCHEMBL6414966 0.81 MRGPRX4 (0.60) ALOX5MRGPRX4MAOBPLAUPLAT
SCHEMBL8598935 0.80 AKR1C2 (0.46) RAB9AMEN1KMT2AMTNR1A
SCHEMBL8598938 0.80 AKR1C2 (0.46) RAB9AMEN1KMT2AMTNR1A
SCHEMBL8597245 0.80 HIF1A (0.52) ALOX5MRGPRX4MAOBPLAUPLAT
SCHEMBL9432951 0.79 MAOB (0.61) MAOBRAB9ASMN1; SMN2NPC1NR4A2
SCHEMBL9432956 0.79 MAOB (0.61) MAOBRAB9ASMN1; SMN2NPC1NR4A2

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-0819111-A1 FUNGICIDAL COMPOUNDS AgrEvo UK Limited (GB) 1998-01-21 EP disclosed
WO-1996029301-A1 FUNGICIDAL COMPOUNDS AGREVO UK LIMITED (GB) 1996-09-26 WO disclosed