SCHEMBL9253596

SCHEMBL9253596

COC(=O)CCc1cccc2c1CCC(NS(=O)(=O)c1ccc(C)cc1)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.67
ALDH1A1 P00352 2/20 0.45
TBXAS1 P24557 2/20 0.44
TSHR P16473 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 2/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL9248933 0.91 TBXA2R (0.80) TBXA2RTBXAS1
SCHEMBL9015455 0.90 TBXA2R (0.81) TBXA2RALDH1A1TBXAS1TSHR
SCHEMBL527399 0.85 TBXA2R (0.76) TBXA2RTBXAS1
SCHEMBL15052559 0.85 TBXA2R (0.62) TBXA2RALDH1A1TBXAS1GAACYP2C9
SCHEMBL15078829 0.85 TBXA2R (0.76) TBXA2RTBXAS1
SCHEMBL15052944 0.83 TBXA2R (0.60) TBXA2RALDH1A1TBXAS1GAA
SCHEMBL15051847 0.82 TBXA2R (0.75) TBXA2RTBXAS1
SCHEMBL9255961 0.82 TBXA2R (0.61) TBXA2RTBXAS1
SCHEMBL527812 0.80 TBXA2R (1.00) TBXA2RTBXAS1
SCHEMBL15052228 0.80 TBXA2R (0.81) TBXA2RTBXAS1CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5472979-A Antithrombotics ADIR ET COMPAGNIE (FR) 1995-12-05 US disclosed