SCHEMBL9732015

SCHEMBL9732015

CCOC(=O)CSC(CCCCO)CCCc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.48
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRNA7 P36544 1/20 0.39
PTAFR P25105 2/20 0.39

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
SCHEMBL9732813 0.91 HRH1 (0.48) TBXAS1ALDH1A1L3MBTL1TDP1LMNA
SCHEMBL9732403 0.86 TBXAS1 (0.48) TBXAS1ALDH1A1L3MBTL1TDP1LMNA
SCHEMBL9732456 0.84 TBXAS1 (0.47) TBXAS1ALDH1A1L3MBTL1TDP1CHRNA7
SCHEMBL9732300 0.80 PKM (0.41) TBXAS1PTAFR
SCHEMBL9732435 0.80 TBXAS1 (0.79) TBXAS1
SCHEMBL11427621 0.77 L3MBTL1 (0.49) TBXAS1ALDH1A1L3MBTL1TDP1LMNA
SCHEMBL9709504 0.76 TBXAS1 (0.43) TBXAS1ALDH1A1L3MBTL1TDP1CHRNA7
SCHEMBL10713540 0.75 TDP1 (0.53) TBXAS1L3MBTL1TDP1CHRNA7PTAFR
SCHEMBL10622938 0.75 TBXAS1 (0.57) TBXAS1ALDH1A1L3MBTL1TDP1CHRNA7
SCHEMBL11427624 0.74 TDP1 (0.51) TBXAS1ALDH1A1L3MBTL1TDP1CHRNA7

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
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed