SCHEMBL9549751

SCHEMBL9549751

CC1=C(C)C(=O)C(C(CCCC=CC(=O)O)c2cccnc2)=C(C)C1=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.43
EPHX2 P34913 1/20 0.36
PDE4D Q08499 1/20 0.36
GPR52 Q9Y2T5 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL9549745 1.00 TBXAS1 (0.43) TBXAS1EPHX2PDE4DGPR52LMNA
SCHEMBL9734751 1.00 TBXAS1 (0.43) TBXAS1EPHX2PDE4DGPR52LMNA
SCHEMBL9549809 0.83 TBXAS1 (0.60) TBXAS1
SCHEMBL10735286 0.82 TBXAS1 (0.61) TBXAS1EPHX2GPR52LMNA
SCHEMBL10735288 0.82 TBXAS1 (0.61) TBXAS1EPHX2GPR52LMNA
SCHEMBL9549644 0.81 TBXAS1 (0.44) TBXAS1EPHX2PDE4DLMNAMAPK1
SCHEMBL2490139 0.81 TBXAS1 (0.67) TBXAS1
SCHEMBL9549815 0.81 TBXAS1 (0.67) TBXAS1
SCHEMBL9549576 0.79 TBXAS1 (0.48) TBXAS1PDE4DLMNA
SCHEMBL3431967 0.78 TBXAS1 (0.44) TBXAS1EPHX2PDE4DLMNAMAPK1

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
US-5229385-A Thromboxane A2 and lipoxygenase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-20 US disclosed
US-4985447-A USEFUL FOR TREATMENT AND PREVENTION OF DISEASES DUE TO DYSFUNCTION OF HEART, BRAIN, LUNG AND KIDNEY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed