SCHEMBL9709801

SCHEMBL9709801

COC(=O)CCC(CCCCOCc1ccccc1)CCCc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.52
TBXA2R P21731 1/20 0.48
CHRNA7 P36544 1/20 0.45

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
SCHEMBL9709805 1.00 TBXAS1 (0.52) TBXAS1TBXA2RCHRNA7
SCHEMBL9709520 0.78 MMP3 (0.42)
SCHEMBL9709518 0.78 MMP3 (0.42)
SCHEMBL9709646 0.76 TBXAS1 (0.58) TBXAS1TBXA2R
SCHEMBL9709655 0.76 TBXAS1 (0.58) TBXAS1TBXA2R
SCHEMBL6642234 0.76 TBXAS1 (0.60) TBXAS1CHRNA7
SCHEMBL4769249 0.76 HRH4 (0.57) TBXAS1CHRNA7
SCHEMBL9732228 0.75 TBXAS1 (0.49) TBXAS1TBXA2R
SCHEMBL10972402 0.75 TBXAS1 (0.68) TBXAS1CHRNA7
SCHEMBL9709667 0.75 LTA4H (0.43) TBXAS1

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