SCHEMBL8909205

SCHEMBL8909205

CC(=O)SCc1c(CCC(=O)O)cccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.54
PTGER3 P43115 6/20 0.54
PTGER1 P34995 5/20 0.54
PTGER2 P43116 5/20 0.54
FFAR1 O14842 9/20 0.44
FFAR4 Q5NUL3 9/20 0.44
FOLH1 Q04609 1/20 0.43
MAP2K7 O14733 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL2994014 0.84 PTGER4 (0.64) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL6894550 0.81 KEAP1 (0.46) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL6053663 0.78 PTGER4 (0.81) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL1261128 0.77 PTGER4 (0.77) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL31212507 0.77 PTGER4 (0.77) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL29174155 0.76 CD274 (0.64) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL9357793 0.75 PTGER1 (0.53) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL4979854 0.73 PTGER4 (0.62) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL1904775 0.73 PTGER4 (0.62) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL8479912 0.72 PTGER4 (0.70) PTGER4PTGER3PTGER1PTGER2FFAR1

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
US-5670531-A ENKEPHALINASE OR ANGIOTENSIN CONVERTING ENZYME INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-09-23 US disclosed