SCHEMBL9519276

SCHEMBL9519276

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 15/20 0.67
PTGDR Q13258 10/20 0.51
PDE2A O00408 3/20 0.48
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
PTGIR P43119 2/20 0.44
TBXAS1 P24557 3/20 0.44
AKR1B1 P15121 1/20 0.44

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
SCHEMBL9519669 0.93 TBXA2R (0.56) TBXA2RPTGDRPDE2ATBXAS1AKR1B1
SCHEMBL9518784 0.90 TBXA2R (0.54) TBXA2RPTGDRKDM4ECYP1A2CYP3A4
SCHEMBL9518525 0.89 TBXA2R (0.52) TBXA2RPTGDRPDE2AAKR1B1
SCHEMBL9518789 0.89 TBXA2R (0.69) TBXA2RPTGDRPDE2AKDM4ECYP1A2
SCHEMBL9521310 0.87 TBXA2R (0.64) TBXA2RPTGDRPDE2A
SCHEMBL7248571 0.85 PDE2A (0.68) TBXA2RPTGDRPDE2ACYP3A4MAPT
SCHEMBL9518426 0.83 TBXA2R (0.63) TBXA2RPTGDRPDE2AKDM4ECYP1A2
SCHEMBL10588990 0.80 TBXA2R (0.67) TBXA2RPTGDRPDE2AKDM4ECYP1A2
SCHEMBL9277313 0.80 TBXA2R (1.00) TBXA2RPTGDRPDE2APTGER3PTGER2
SCHEMBL9518281 0.79 TBXA2R (0.82) TBXA2RPTGDRPDE2APTGER3PTGER2

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