SCHEMBL11728055

SCHEMBL11728055

CS(=O)(=O)N(CCCCOCC(=O)O)CCCC(O)COc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LTA4H P09960 2/20 0.39
▸ TBXA2R P21731 4/20 0.38
▸ PTGIR P43119 2/20 0.38
▸ PLA2G4B P0C869 2/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PTGDR Q13258 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 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
SCHEMBL11729925 0.86 LTA4H (0.43) KDM4ESMN1; SMN2LTA4HTBXA2RPLA2G4B
SCHEMBL11725963 0.80 ADRB2 (0.40) KDM4ESMN1; SMN2LTA4H
SCHEMBL11655973 0.80 PLA2G4B (0.40) KDM4ESMN1; SMN2LTA4HPTGIRPLA2G4B
SCHEMBL11726052 0.79 FAAH (0.40) SMN1; SMN2LTA4H
SCHEMBL11728048 0.78 TBXA2R (0.40) KDM4ESMN1; SMN2TBXA2RPLA2G4B
SCHEMBL11731610 0.78 KDM4E (0.41) KDM4ESMN1; SMN2LTA4H
SCHEMBL11727616 0.77 LTA4H (0.39) KDM4ESMN1; SMN2LTA4HTBXA2RPLA2G4B
SCHEMBL11728906 0.77 LTA4H (0.39) KDM4ESMN1; SMN2LTA4HTBXA2RPLA2G4B
SCHEMBL11728916 0.77 LTA4H (0.39) KDM4ESMN1; SMN2LTA4HTBXA2RPLA2G4B
SCHEMBL11725299 0.77 PTGFR (0.43) TBXA2RPLA2G4BPTGDR

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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