SCHEMBL11733959

SCHEMBL11733959

CCc1cccc(OCC(O)CCCCS(=O)(=O)NCC#CCCCC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTGFR P43088 3/20 0.38
▸ TBXA2R P21731 2/20 0.38
▸ PTGER1 P34995 2/20 0.38
▸ PTGER3 P43115 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ PTGIR P43119 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ FFAR1 O14842 2/20 0.36
▸ PTGDR Q13258 1/20 0.36
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ ABCB1 P08183 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
SCHEMBL11726209 0.89 KDM4E (0.44) MAPK1L3MBTL1TSHRTDP1PTGFR
SCHEMBL11731322 0.89 ADRB2 (0.45) L3MBTL1PTGFRTBXA2RPTGER1PTGER3
SCHEMBL11731623 0.89 TBXA2R (0.39) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11734063 0.88 TBXA2R (0.40) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11727274 0.88 TBXA2R (0.38) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11726066 0.88 PTGFR (0.44) MAPK1L3MBTL1TSHRTDP1PTGFR
SCHEMBL11728653 0.87 TBXA2R (0.38) L3MBTL1PTGFRTBXA2RPTGER1PTGER3
SCHEMBL11728763 0.86 TBXA2R (0.37) MAPK1PTGFRTBXA2RPTGER1PTGER3
SCHEMBL11733964 0.82 CA12 (0.38) MAPK1L3MBTL1TSHRTDP1PTGFR
SCHEMBL11727609 0.82 LTA4H (0.38) TSHRPTGFRTBXA2RPTGER1PTGER3

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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