SCHEMBL7346174

SCHEMBL7346174

Oc1ccc(-c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.64
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
PTGS1 P23219 1/20 0.62
SLC6A2 P23975 1/20 0.62
CYP2C19 P33261 1/20 0.62
PTGS2 P35354 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HIF1A Q16665 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
NR4A2 P43354 2/20 0.60
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
THRB P10828 1/20 0.60
PKM P14618 1/20 0.60
RAB9A P51151 1/20 0.60
BLM P54132 1/20 0.60

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
SCHEMBL2137838 0.91 MRGPRX4 (0.69) MRGPRX4NR4A2HDAC4CYP4F2CYP4A11
SCHEMBL18625351 0.90 LMNA (0.73) MRGPRX4LMNACYP1A2PTGS1SLC6A2
SCHEMBL16346074 0.90 GSTP1 (0.66) MRGPRX4LMNACYP1A2PTGS1SLC6A2
SCHEMBL379281 0.89 MAOB (0.67) MRGPRX4NR4A2CYP4F2CYP4A11BCHE
Monobenzone SCHEMBL7269913 0.88 LMNA (0.76) MRGPRX4LMNACYP1A2PTGS1SLC6A2
SCHEMBL3683352 0.87 MRGPRX4 (0.61) MRGPRX4NR4A2HDAC4CYP4F2CYP4A11
SCHEMBL2570119 0.85 MAOB (0.65) MRGPRX4NR4A2HDAC4CYP4F2CYP4A11
SCHEMBL30426715 0.85 MAOB (0.68) MRGPRX4NR4A2GAAMAPTRAB9A
SCHEMBL3786472 0.85 MAOB (0.68) MRGPRX4NR4A2GAAMAPTRAB9A
SCHEMBL10459767 0.84 MRGPRX4 (0.79) MRGPRX4NR4A2MEN1KMT2AHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
EP-0973517-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-24 EP disclosed
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
EP-0973517-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998048794-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed