SCHEMBL11114853

SCHEMBL11114853

O=C(O)CCCc1ccc(OCc2ccsc2C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.56
FFAR4 Q5NUL3 13/20 0.51
FFAR1 O14842 5/20 0.51

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
SCHEMBL11282578 0.84 RXRA (0.43) LTB4RFFAR4FFAR1
SCHEMBL8936259 0.79 SLC6A1 (0.51) FFAR1
SCHEMBL11117206 0.79 PTGER1 (0.49) LTB4RFFAR1
SCHEMBL5757559 0.77 PTGER4 (0.51) FFAR1
SCHEMBL11114869 0.77 ALDH1A1 (0.42) LTB4RFFAR4FFAR1
SCHEMBL11621301 0.76 FFAR1 (0.60) FFAR4FFAR1
SCHEMBL3030815 0.75 ALDH1A1 (0.51) FFAR1
SCHEMBL7905578 0.75 FFAR1 (0.82) FFAR4FFAR1
SCHEMBL11617007 0.72 FFAR1 (0.59) FFAR4FFAR1
SCHEMBL11115339 0.72 NPC1 (0.43) FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0118867-A2 Substituted 4,10-dihydro-10-oxothieno benzoxepins, a method of preparing the same and intermediate thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-09-19 EP disclosed