SCHEMBL11728921

SCHEMBL11728921

Cc1cccc(OCC(O)CCCCS(=O)(=O)NCCCCCCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 3/20 0.46
▸ ADRB1 P08588 3/20 0.46
▸ TBXA2R P21731 3/20 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
▸ KMT2A Q03164 1/20 0.42
▸ ADRB3 P13945 2/20 0.41
▸ PTGDR Q13258 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ FABP4 P15090 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 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
SCHEMBL11735554 0.90 PTGFR (0.45) ADRB2TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11730971 0.90 ADRB2 (0.43) ADRB2ADRB1KMT2AADRB3SMN1; SMN2
SCHEMBL11850224 0.89 PTGFR (0.57) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11730097 0.89 TBXA2R (0.51) ADRB2ADRB1TBXA2RPTGER1PTGFR
SCHEMBL11726066 0.89 PTGFR (0.44) ADRB2ADRB1TBXA2RPTGER1PTGFR
SCHEMBL11849657 0.89 TBXA2R (0.44) ADRB2TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11728191 0.89 MEN1 (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726284 0.89 TBXA2R (0.45) ADRB2ADRB1TBXA2RPTGER1PTGFR
Water SCHEMBL11730250 0.89 PTGFR (0.56) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728034 0.89 TBXA2R (0.47) 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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