SCHEMBL9015405

SCHEMBL9015405

O=C1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1=CO

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.50
TBXA2R P21731 10/20 0.48
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9249630 1.00 HDAC8 (0.50) HDAC8TBXA2RPSEN1PSEN2APH1B
SCHEMBL9015505 0.83 TBXA2R (0.53) HDAC8TBXA2RHTT
SCHEMBL9015504 0.83 TBXA2R (0.53) HDAC8TBXA2RHTT
SCHEMBL9015393 0.83 TBXA2R (0.48) HDAC8TBXA2RPSEN1PSEN2APH1B
SCHEMBL9015391 0.83 TBXA2R (0.48) HDAC8TBXA2RPSEN1PSEN2APH1B
SCHEMBL9252986 0.81 TBXA2R (0.46) HDAC8TBXA2RHTTALDH1A1
SCHEMBL9248473 0.81 HDAC8 (0.45) HDAC8TBXA2RPSEN1PSEN2APH1B
SCHEMBL9252991 0.81 TBXA2R (0.46) HDAC8TBXA2RHTTALDH1A1
SCHEMBL9248467 0.81 HDAC8 (0.45) HDAC8TBXA2RPSEN1PSEN2APH1B
SCHEMBL9834723 0.79 HDAC8 (0.54) HDAC8TBXA2RPSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648741-B1 1,2,3,4-Tetrahydronaphthalene, chroman and thiochroman derivatives as antithrombotic agents ADIR (FR) 1996-12-18 EP disclosed
US-5472979-A Antithrombotics ADIR ET COMPAGNIE (FR) 1995-12-05 US disclosed
EP-0648741-A1 1,2,3,4-Tetrahydronaphthalene, chroman and thiochroman derivatives as antithrombotic agents ADIR ET COMPAGNIE (FR) 1995-04-19 EP disclosed