SCHEMBL11726209

SCHEMBL11726209

COc1cccc(OCC(O)CCCCS(=O)(=O)NCC#CCCCC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ LMNA P02545 1/20 0.40
▸ MTNR1A P48039 3/20 0.40
▸ MTNR1B P49286 3/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 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
▸ MAPT P10636 1/20 0.38
▸ CASR P41180 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL11731322 0.91 ADRB2 (0.45) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11731623 0.91 TBXA2R (0.39) KDM4EFFAR1TBXA2RPTGER1PTGFR
SCHEMBL11734063 0.90 TBXA2R (0.40) KDM4ELMNAFFAR1TBXA2RPTGER1
SCHEMBL11727274 0.90 TBXA2R (0.38) FFAR1FFAR4TBXA2RPTGER1PTGFR
SCHEMBL11733959 0.89 MAPK1 (0.41) KDM4ETSHRMAPK1FFAR1TBXA2R
SCHEMBL11728653 0.89 TBXA2R (0.38) FFAR1TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11728763 0.88 TBXA2R (0.37) MAPK1MTNR1AMTNR1BFFAR1TBXA2R
SCHEMBL11735554 0.88 PTGFR (0.45) KDM4ETSHRMAPK1LMNAMTNR1A
SCHEMBL11727609 0.83 LTA4H (0.38) TSHRLMNATBXA2RPTGER1PTGFR
SCHEMBL11732610 0.82 GRM2 (0.34) KDM4EFFAR4TBXA2RPTGER1PTGFR

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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