SCHEMBL9015393

SCHEMBL9015393

CC(C=C1CC(NS(=O)(=O)c2ccc(Cl)cc2)CCC1=O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 11/20 0.48
HDAC8 Q9BY41 2/20 0.47
MMP2 P08253 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TBXAS1 P24557 3/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 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
SCHEMBL9015391 1.00 TBXA2R (0.48) TBXA2RHDAC8MMP2MMP1MMP3
SCHEMBL9248467 0.89 HDAC8 (0.45) TBXA2RHDAC8PSEN1PSEN2APH1B
SCHEMBL9248473 0.89 HDAC8 (0.45) TBXA2RHDAC8PSEN1PSEN2APH1B
SCHEMBL9249630 0.83 HDAC8 (0.50) TBXA2RHDAC8HTTALDH1A1PSEN1
SCHEMBL9015405 0.83 HDAC8 (0.50) TBXA2RHDAC8HTTALDH1A1PSEN1
SCHEMBL9015505 0.81 TBXA2R (0.53) TBXA2RHDAC8HTTTBXAS1
SCHEMBL9015504 0.81 TBXA2R (0.53) TBXA2RHDAC8HTTTBXAS1
SCHEMBL9252991 0.79 TBXA2R (0.46) TBXA2RHDAC8HTTALDH1A1
SCHEMBL9252986 0.79 TBXA2R (0.46) TBXA2RHDAC8HTTALDH1A1
SCHEMBL9834723 0.73 HDAC8 (0.54) TBXA2RHDAC8MMP2MMP1MMP9

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
EP-0648741-B1 1,2,3,4-Tetrahydronaphthalene, chroman and thiochroman derivatives as antithrombotic agents ADIR (FR) 1996-12-18 EP 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