SCHEMBL11734070

SCHEMBL11734070

CS(=O)(=O)N(CC#CCCCC(=O)O)CCCC(O)COc1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TBXA2R P21731 2/20 0.39
▸ PTGER1 P34995 2/20 0.39
▸ PTGFR P43088 2/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ PTGER2 P43116 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ PTGDR Q13258 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALK Q9UM73 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL11731325 0.90 ADRB2 (0.40) KMT2ATBXA2RPTGER1PTGFRPTGER3
SCHEMBL11726216 0.90 TSHR (0.42) ALDH1A1MAPTTBXA2RPTGER1PTGFR
SCHEMBL11727282 0.89 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11731627 0.89 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728656 0.89 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728772 0.89 TBXA2R (0.37) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11733964 0.89 CA12 (0.38) ALDH1A1TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11728039 0.87 TBXA2R (0.46) ALDH1A1KMT2AMAPTTBXA2RPTGER1
SCHEMBL11727616 0.83 LTA4H (0.39) KMT2ATBXA2RPTGER1PTGFRPTGER3
SCHEMBL11727615 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTTBXA2RPTGER1

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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