SCHEMBL9879388

SCHEMBL9879388

CC(=O)OC1CCCc2c1n(Cc1ccccc1)c1ccc(F)cc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 14/20 0.58
TBXAS1 P24557 8/20 0.51
PDE2A O00408 1/20 0.47
AKR1B10 O60218 1/20 0.45
AKR1A1 P14550 1/20 0.45
AKR1B1 P15121 1/20 0.45
PTGDR Q13258 3/20 0.45
PTGDR2 Q9Y5Y4 3/20 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
SCHEMBL10588990 0.91 TBXA2R (0.67) TBXA2RTBXAS1PDE2APTGDR
SCHEMBL9518655 0.88 TBXA2R (0.57) TBXA2RPTGDR
SCHEMBL9518853 0.81 TBXA2R (0.85) TBXA2RTBXAS1PDE2APTGDR
SCHEMBL9879273 0.81 TBXA2R (0.65) TBXA2RPDE2APTGDR
SCHEMBL9519669 0.81 TBXA2R (0.56) TBXA2RTBXAS1PDE2AAKR1B10AKR1A1
SCHEMBL10769971 0.80 TBXA2R (0.53) TBXA2RPTGDR
SCHEMBL9518380 0.79 TBXA2R (0.67) TBXA2RTBXAS1PDE2APTGDRPTGDR2
SCHEMBL9878840 0.79 TBXA2R (0.41) TBXA2RTBXAS1PTGDRPTGDR2
SCHEMBL10585888 0.76 TBXA2R (0.52) TBXA2RPDE2APTGDR
SCHEMBL9518789 0.75 TBXA2R (0.69) TBXA2RTBXAS1PDE2AAKR1B1PTGDR

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-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 EP claimed
EP-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 EP disclosed