SCHEMBL11731322

SCHEMBL11731322

Cc1cccc(OCC(O)CCCCS(=O)(=O)NCC#CCCCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.45
▸ ADRB1 P08588 3/20 0.45
▸ ADRB3 P13945 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TBXA2R P21731 2/20 0.39
▸ PTGER1 P34995 2/20 0.39
▸ PTGFR P43088 2/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PTGDR Q13258 1/20 0.37
▸ HPGD P15428 2/20 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
SCHEMBL11731623 0.91 TBXA2R (0.39) ADRB2ADRB1ADRB3TBXA2RPTGER1
SCHEMBL11726209 0.91 KDM4E (0.44) KMT2ATBXA2RPTGER1PTGFRPTGER3
SCHEMBL11734063 0.90 TBXA2R (0.40) ADRB2ADRB1ADRB3KMT2ATBXA2R
SCHEMBL11727274 0.90 TBXA2R (0.38) ADRB2ADRB1ADRB3TBXA2RPTGER1
SCHEMBL11733959 0.89 MAPK1 (0.41) ADRB2ADRB1ADRB3TBXA2RPTGER1
SCHEMBL11728653 0.89 TBXA2R (0.38) ADRB2ADRB1ADRB3KMT2ATBXA2R
SCHEMBL11728763 0.88 TBXA2R (0.37) ADRB2ADRB1ADRB3KMT2ATBXA2R
SCHEMBL11728921 0.88 ADRB2 (0.46) ADRB2ADRB1ADRB3SMN1; SMN2KMT2A
SCHEMBL11727609 0.83 LTA4H (0.38) ADRB2ADRB1ADRB3SMN1; SMN2KMT2A
SCHEMBL11732610 0.82 GRM2 (0.34) ADRB1KMT2ATBXA2RPTGER1PTGFR

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-4055596-A PHARMACEUTICALS MERCK & CO., INC. (US) 1977-10-25 — — US disclosed
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