SCHEMBL11485773

SCHEMBL11485773

CCCCCC(=O)C=C[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 5/20 0.45
▸ PTGER4 P35408 2/20 0.45
▸ PTGER3 P43115 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ POLB P06746 3/20 0.38
▸ POLA1 P09884 1/20 0.38
▸ DGKA P23743 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ABCC4 O15439 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ TSHR P16473 1/20 0.36

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
SCHEMBL11862379 1.00 PTGER2 (0.45) PTGER2PTGER4PTGER3MEN1GALR3
SCHEMBL11862363 1.00 PTGER2 (0.45) PTGER2PTGER4PTGER3MEN1GALR3
SCHEMBL11862373 1.00 PTGER2 (0.45) PTGER2PTGER4PTGER3MEN1GALR3
SCHEMBL11868943 0.93 MEN1 (0.40) PTGER2PTGER4PTGER3MEN1GALR3
SCHEMBL11868949 0.93 MEN1 (0.40) PTGER2PTGER4PTGER3MEN1GALR3
SCHEMBL11868941 0.93 MEN1 (0.40) PTGER2PTGER4PTGER3MEN1GALR3
SCHEMBL11719721 0.90 PTGER2 (0.55) PTGER2PTGER4PTGER3MEN1GALR3
SCHEMBL11865876 0.89 PTGER2 (0.53) PTGER2PTGER4PTGER3MEN1GALR3
SCHEMBL11865889 0.89 PTGER2 (0.53) PTGER2PTGER4PTGER3MEN1GALR3
SCHEMBL11865880 0.89 PTGER2 (0.53) PTGER2PTGER4PTGER3MEN1GALR3

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-4209444-A INHIBITORS OF AGGREGATION OR ADHESION OF THROMBOCYTES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-06-24 — — US disclosed
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