SCHEMBL11728034

SCHEMBL11728034

O=C(O)CCCCCCNS(=O)(=O)CCCCC(O)COc1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 3/20 0.47
▸ PTGER1 P34995 2/20 0.47
▸ PTGFR P43088 2/20 0.47
▸ PTGER3 P43115 2/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ PTGDR Q13258 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ ATM Q13315 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FABP1 P07148 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
SCHEMBL11850224 0.89 PTGFR (0.57) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11730097 0.89 TBXA2R (0.51) TBXA2RPTGER1PTGFRPTGER3PTGER2
Water SCHEMBL11730250 0.89 PTGFR (0.56) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728921 0.89 ADRB2 (0.46) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11735554 0.89 PTGFR (0.45) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726284 0.89 TBXA2R (0.45) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11730044 0.88 KDM4E (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726066 0.87 PTGFR (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728191 0.87 MEN1 (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11849657 0.87 TBXA2R (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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