SCHEMBL6964501

SCHEMBL6964501

Clc1cc(Cc2ccccc2-c2ccc(OCCN3CCCC3)cc2)ccc1Sc1nccs1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 17/20 0.48
HRH3 Q9Y5N1 1/20 0.43
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB2 P49721 1/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39

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
SCHEMBL7417412 0.83 F2 (0.52) LTA4H
Oxalic Acid SCHEMBL7417461 0.79 F2 (0.50)
SCHEMBL7949758 0.79 HRH3 (0.61) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6957964 0.77 LTA4H (0.45) LTA4HHRH3
SCHEMBL7407832 0.76 ESR1 (0.62)
SCHEMBL7442242 0.76 LTA4H (0.69) LTA4HHRH3PSMB1PSMB5PSMB2
Oxalic Acid SCHEMBL7411155 0.74 ESR1 (0.62)
SCHEMBL6964901 0.72 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7349591 0.72 LTA4H (0.70) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7444253 0.72 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed