SCHEMBL11730159

SCHEMBL11730159

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 1/20 0.45
▸ PTGER1 P34995 1/20 0.45
▸ PTGFR P43088 1/20 0.45
▸ PTGER3 P43115 1/20 0.45
▸ PTGER2 P43116 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ CASR P41180 1/20 0.38

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 0.92 ADRB2 (0.43) KMT2A
SCHEMBL11722942 0.91 TSHR (0.44) ALDH1A1L3MBTL1CASR
SCHEMBL11730449 0.90 CYSLTR2 (0.35) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11725475 0.90 MAPK1 (0.46) ALDH1A1GAAL3MBTL1
SCHEMBL11730044 0.90 KDM4E (0.39) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11726905 0.90 NPC1 (0.40) TRPV4
SCHEMBL11730754 0.90 LTA4H (0.45) ALDH1A1
SCHEMBL11732450 0.90 PRMT5 (0.36) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11733944 0.90 KMT2A (0.42) KMT2A
SCHEMBL11727295 0.89 CYSLTR2 (0.35) —

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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