SCHEMBL9709547

SCHEMBL9709547

O=C(O)CCC(CCCCO)CCOc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 12/20 0.63
FFAR4 Q5NUL3 1/20 0.46
TBXA2R P21731 1/20 0.42
KMT2A Q03164 1/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 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
SCHEMBL9709545 1.00 TBXAS1 (0.63) TBXAS1FFAR4TBXA2RKMT2ACHRNB2
SCHEMBL9709655 0.85 TBXAS1 (0.58) TBXAS1FFAR4TBXA2R
SCHEMBL9709646 0.85 TBXAS1 (0.58) TBXAS1FFAR4TBXA2R
SCHEMBL9710086 0.79 TBXAS1 (0.62) TBXAS1TBXA2R
SCHEMBL9710082 0.79 TBXAS1 (0.62) TBXAS1TBXA2R
SCHEMBL9709493 0.78 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9709541 0.78 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL9709498 0.78 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL15429528 0.77 CHRNB2 (0.56) TBXAS1FFAR4KMT2ACHRNB2CHRNA4
SCHEMBL30954573 0.77 CHRNB2 (0.56) TBXAS1FFAR4KMT2ACHRNB2CHRNA4

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-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed