SCHEMBL11728048

SCHEMBL11728048

O=C(O)COCCCCNS(=O)(=O)CCCCC(O)COc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 5/20 0.40
▸ ADRB2 P07550 3/20 0.39
▸ ADRB1 P08588 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ PLA2G4B P0C869 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 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
SCHEMBL11729918 0.87 LMNA (0.44) TBXA2RMEN1KMT2ALMNAPLA2G4B
SCHEMBL11735701 0.81 ADRB2 (0.41) ADRB2ADRB1ADRB3CA12CA2
SCHEMBL11726046 0.79 FAAH (0.40) —
SCHEMBL11655973 0.79 PLA2G4B (0.40) ADRB2ADRB1CYP1A2ADRB3LMNA
SCHEMBL11728055 0.78 KDM4E (0.45) TBXA2RPLA2G4BKDM4ESMN1; SMN2
SCHEMBL11730097 0.77 TBXA2R (0.51) TBXA2RADRB2ADRB1CYP1A2ADRB3
SCHEMBL11727609 0.77 LTA4H (0.38) TBXA2RADRB2ADRB1ADRB3MEN1
SCHEMBL11725291 0.77 TBXAS1 (0.43) TBXA2RADRB2KMT2A
SCHEMBL11603926 0.77 EPHX2 (0.46) CYP1A2
SCHEMBL11733725 0.74 TBXA2R (0.39) TBXA2RADRB1KMT2ALMNAKDM4E

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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