SCHEMBL9879040

SCHEMBL9879040

OCCC1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(F)cc(F)cc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.77
PTGDR Q13258 10/20 0.77
PDE2A O00408 8/20 0.63
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD17B10 Q99714 1/20 0.60
PTGER3 P43115 3/20 0.55
PTGER2 P43116 3/20 0.55
PTGIR P43119 3/20 0.55
PTGER1 P34995 2/20 0.55
PTGFR P43088 2/20 0.55
PTGER4 P35408 1/20 0.55
PDE4A P27815 1/20 0.52

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
SCHEMBL9518470 0.87 TBXA2R (1.00) TBXA2RPTGDRPDE2AMEN1ALDH1A1
SCHEMBL9879252 0.84 TBXA2R (0.76) TBXA2RPTGDRPDE2APTGER3PTGER2
SCHEMBL6901464 0.80 TBXA2R (0.89) TBXA2RPTGDRPDE2AMEN1ALDH1A1
SCHEMBL6906106 0.78 TBXA2R (0.83) TBXA2RPTGDRPDE2AMEN1ALDH1A1
SCHEMBL1408220 0.77 PDE2A (1.00) TBXA2RPTGDRPDE2AMEN1ALDH1A1
SCHEMBL10576573 0.77 TBXA2R (0.70) TBXA2RPTGDRPDE2AMEN1ALDH1A1
SCHEMBL6949873 0.77 PDE2A (0.85) TBXA2RPTGDRPDE2AMEN1ALDH1A1
SCHEMBL6901522 0.77 PTGDR (0.81) TBXA2RPTGDRPDE2AMEN1ALDH1A1
SCHEMBL6904057 0.76 TBXA2R (0.80) TBXA2RPTGDRPDE2AMEN1ALDH1A1
SCHEMBL6903085 0.76 TBXA2R (0.80) TBXA2RPTGDRPDE2AMEN1ALDH1A1

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 8 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-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP claimed
EP-0234708-A1 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1987-09-02 EP claimed
EP-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 EP disclosed
EP-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP disclosed
US-4808608-A ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT MERCK & CO., INC. (US) 1989-02-28 US disclosed
EP-0300676-A2 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1989-01-25 EP disclosed
EP-0234708-A1 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1987-09-02 EP disclosed