SCHEMBL11730449

SCHEMBL11730449

CCOC(=O)CCCCCCNS(=O)(=O)CCCCC(O)COc1cccc(I)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 1/20 0.35
▸ CYSLTR1 Q9Y271 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ TBXA2R P21731 1/20 0.35
▸ PTGER1 P34995 1/20 0.35
▸ PTGFR P43088 1/20 0.35
▸ PTGER3 P43115 1/20 0.35
▸ PTGER2 P43116 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NAMPT P43490 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
SCHEMBL11730971 0.91 ADRB2 (0.43) —
SCHEMBL11733944 0.90 KMT2A (0.42) —
SCHEMBL11722942 0.90 TSHR (0.44) ALDH1A1
SCHEMBL11730159 0.90 TBXA2R (0.45) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11725475 0.90 MAPK1 (0.46) LTA4HALDH1A1
SCHEMBL11730044 0.90 KDM4E (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726905 0.90 NPC1 (0.40) —
SCHEMBL11730754 0.89 LTA4H (0.45) LTA4HALDH1A1NAMPT
SCHEMBL11732450 0.89 PRMT5 (0.36) CYSLTR2CYSLTR1LTA4HTBXA2RPTGER1
SCHEMBL11726284 0.88 TBXA2R (0.45) 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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