SCHEMBL11728925

SCHEMBL11728925

Cc1cccc(OCC(O)CCCN(CCCCCCC(=O)O)S(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 2/20 0.45
▸ PTGER1 P34995 2/20 0.45
▸ PTGFR P43088 2/20 0.45
▸ PTGER3 P43115 2/20 0.45
▸ PTGER2 P43116 1/20 0.45
▸ ADRB2 P07550 3/20 0.43
▸ ADRB1 P08588 3/20 0.43
▸ ADRB3 P13945 2/20 0.43
▸ PTGDR Q13258 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39

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 0.90 TSHR (0.47) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11730106 0.89 TBXA2R (0.53) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11730979 0.89 HPGD (0.44) ADRB2ADRB1ADRB3KMT2ASMN1; SMN2
SCHEMBL11729589 0.89 TBXA2R (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726287 0.89 TBXA2R (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728039 0.89 TBXA2R (0.46) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11850231 0.89 PTGFR (0.58) TBXA2RPTGER1PTGFRPTGER3PTGER2
Water SCHEMBL11730258 0.88 PTGFR (0.57) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726070 0.88 PTGFR (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11725189 0.88 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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