SCHEMBL10879243

SCHEMBL10879243

Cc1ccc2c(c1)OCc1ccccc1C2SCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.47
TBXAS1 P24557 5/20 0.47
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HRH1 P35367 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
SCHEMBL10879569 0.90 TBXA2R (0.54) TBXA2RTBXAS1
SCHEMBL10880320 0.80 TBXA2R (0.53) TBXA2RTBXAS1
SCHEMBL10877858 0.79 TBXA2R (0.52) TBXA2RTBXAS1
SCHEMBL10878690 0.79 TBXA2R (0.50) TBXA2RTBXAS1
Acetic Acid Methyl Ester SCHEMBL10865605 0.78 TBXA2R (0.54) TBXA2RTBXAS1
SCHEMBL10909487 0.77 TBXA2R (0.51) TBXA2RTBXAS1
SCHEMBL10912315 0.76 TBXA2R (0.77) TBXA2RTBXAS1
SCHEMBL10911028 0.75 TBXA2R (0.75) TBXA2RTBXAS1
SCHEMBL10911026 0.74 TBXA2R (0.63) TBXA2RTBXAS1
Acetic Acid SCHEMBL10911527 0.74 TBXA2R (0.74) TBXA2RTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0085870-B1 DIBENZ(B,E)OXEPIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KYOWA HAKKO KOGYO CO., LTD (JP) 1986-06-11 EP claimed