SCHEMBL9518784

SCHEMBL9518784

CCC(C(=O)O)C1CCCc2c1n(Cc1ccc(OC)cc1)c1ccc(F)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 11/20 0.54
TBXAS1 P24557 7/20 0.47
HTR6 P50406 2/20 0.44
HRH1 P35367 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGDR Q13258 1/20 0.42
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
PLA2G2A P14555 1/20 0.41
TP53 P04637 1/20 0.40
AKR1B1 P15121 1/20 0.40

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
SCHEMBL9519276 0.90 TBXA2R (0.67) TBXA2RTBXAS1KDM4ECYP1A2CYP3A4
SCHEMBL9519669 0.90 TBXA2R (0.56) TBXA2RTBXAS1HTR6HRH1PTGDR
SCHEMBL9519724 0.82 TBXA2R (0.79) TBXA2RTBXAS1CYP3A4CYP2C9CYP2C19
SCHEMBL9518789 0.81 TBXA2R (0.69) TBXA2RTBXAS1KDM4ECYP1A2CYP3A4
SCHEMBL9518525 0.80 TBXA2R (0.52) TBXA2RHTR6PTGDRAKR1B1
SCHEMBL9518277 0.79 TBXA2R (0.64) TBXA2RTBXAS1CYP3A4CYP2C9CYP2C19
SCHEMBL9521310 0.77 TBXA2R (0.64) TBXA2RPTGDR
SCHEMBL9518426 0.77 TBXA2R (0.63) TBXA2RTBXAS1KDM4ECYP1A2CYP3A4
SCHEMBL7248571 0.76 PDE2A (0.68) TBXA2RCYP3A4CYP2C9CYP2C19PTGDR
SCHEMBL9518398 0.75 PTGDR (0.48) TBXA2RPTGDRPTGDR2

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-0239306-B1 TETRAHYDROCARBAZOLE ESTERS MERCK FROSST CANADA INC. (CA) 1993-06-02 EP claimed