SCHEMBL11727615

SCHEMBL11727615

CS(=O)(=O)N(C/C=C\CCCC(=O)O)CCCC(O)COc1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PTGFR P43088 6/20 0.39
▸ PTGER3 P43115 4/20 0.39
▸ TBXA2R P21731 3/20 0.39
▸ PTGER1 P34995 3/20 0.39
▸ PTGER2 P43116 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.37
▸ PTGDR Q13258 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALK Q9UM73 1/20 0.36

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
SCHEMBL11727626 1.00 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTPTGFRPTGER3
SCHEMBL11734107 0.90 TSHR (0.42) ALDH1A1PTGFRPTGER3TBXA2RPTGER1
SCHEMBL11734124 0.90 TSHR (0.42) ALDH1A1PTGFRPTGER3TBXA2RPTGER1
SCHEMBL11736071 0.90 ADRB2 (0.40) KMT2APTGFRPTGER3TBXA2RPTGER1
SCHEMBL11736076 0.90 ADRB2 (0.40) KMT2APTGFRPTGER3TBXA2RPTGER1
SCHEMBL11733985 0.89 PTGFR (0.39) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11729663 0.89 PTGFR (0.38) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11728564 0.89 PTGFR (0.37) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11728579 0.89 PTGFR (0.37) PTGFRPTGER3TBXA2RPTGER1PTGER2
SCHEMBL11733997 0.89 PTGFR (0.39) PTGFRPTGER3TBXA2RPTGER1PTGER2

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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