SCHEMBL11728039

SCHEMBL11728039

CS(=O)(=O)N(CCCCCCC(=O)O)CCCC(O)COc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.46
▸ PTGER1 P34995 2/20 0.46
▸ PTGFR P43088 2/20 0.46
▸ PTGER3 P43115 2/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PTGDR Q13258 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALK Q9UM73 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL11735558 0.89 TSHR (0.47) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728925 0.89 TBXA2R (0.45) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11730056 0.89 ALDH1A1 (0.41) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11730106 0.88 TBXA2R (0.53) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11729589 0.88 TBXA2R (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726287 0.88 TBXA2R (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11850231 0.88 PTGFR (0.58) TBXA2RPTGER1PTGFRPTGER3PTGER2
Water SCHEMBL11730258 0.87 PTGFR (0.57) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11725189 0.87 TBXA2R (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726070 0.87 PTGFR (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4055596-A PHARMACEUTICALS MERCK & CO., INC. (US) 1977-10-25 — — US disclosed
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US disclosed
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