SCHEMBL7445953

SCHEMBL7445953

OCCc1ccc(-c2cccc(OCc3ccccc3)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.72
CYP4A11 Q02928 1/20 0.72
MRGPRX4 Q96LA9 2/20 0.58
GSTP1 P09211 2/20 0.56
FFAR1 O14842 3/20 0.56
AKR1B1 P15121 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
LTA4H P09960 1/20 0.55
EPHX2 P34913 1/20 0.55
NR4A2 P43354 1/20 0.55
SMPD1 P17405 1/20 0.54
HDAC4 P56524 1/20 0.53
NAAA Q02083 1/20 0.53
BCHE P06276 2/20 0.51
MAOB P27338 3/20 0.50
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
F9 P00740 1/20 0.50
F10 P00742 1/20 0.50

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
SCHEMBL18625341 0.91 CYP4F2 (0.63) CYP4F2CYP4A11GSTP1FFAR1AKR1B1
SCHEMBL3683352 0.88 MRGPRX4 (0.61) CYP4F2CYP4A11MRGPRX4GSTP1FFAR1
SCHEMBL2137838 0.86 MRGPRX4 (0.69) CYP4F2CYP4A11MRGPRX4GSTP1NR4A2
SCHEMBL7817624 0.85 GSTP1 (0.60) CYP4F2CYP4A11MRGPRX4GSTP1FFAR1
SCHEMBL7349864 0.85 MAOB (0.64) CYP4F2CYP4A11MRGPRX4GSTP1FFAR1
SCHEMBL18076563 0.85 CYP4F2 (0.59) CYP4F2CYP4A11MRGPRX4GSTP1NR4A2
SCHEMBL8339114 0.85 FFAR1 (0.78) MRGPRX4FFAR1AKR1B1FFAR4
SCHEMBL7346174 0.84 MRGPRX4 (0.64) CYP4F2CYP4A11MRGPRX4GSTP1NR4A2
SCHEMBL3179250 0.84 CYP4F2 (1.00) CYP4F2CYP4A11FFAR1LTA4HEPHX2
SCHEMBL16346074 0.84 GSTP1 (0.66) CYP4F2CYP4A11MRGPRX4GSTP1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980366-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-17 EP disclosed
EP-0980366-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
WO-1998049160-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed