SCHEMBL11727295

SCHEMBL11727295

CCOC(=O)CCCCCCNS(=O)(=O)CCCCC(O)COc1cccc(N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 1/20 0.35
▸ CYSLTR1 Q9Y271 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ MTNR1A P48039 4/20 0.34
▸ MTNR1B P49286 4/20 0.34

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
SCHEMBL11725181 0.90 TBXA2R (0.43) HDAC1MTNR1AMTNR1B
SCHEMBL11730971 0.90 ADRB2 (0.43) —
SCHEMBL11730159 0.89 TBXA2R (0.45) —
SCHEMBL11722942 0.89 TSHR (0.44) MTNR1AMTNR1B
SCHEMBL11730449 0.88 CYSLTR2 (0.35) CYSLTR2CYSLTR1
SCHEMBL11730044 0.88 KDM4E (0.39) —
SCHEMBL11726905 0.88 NPC1 (0.40) —
SCHEMBL11725475 0.88 MAPK1 (0.46) —
SCHEMBL11730754 0.88 LTA4H (0.45) —
SCHEMBL11732450 0.87 PRMT5 (0.36) CYSLTR2CYSLTR1

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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