SCHEMBL9518113

SCHEMBL9518113

O=C(O)CC1CCCc2c1[nH]c1c(F)cc(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.48
PTGDR Q13258 8/20 0.48
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 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
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PDE2A O00408 7/20 0.42
S1PR1 P21453 1/20 0.41

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
SCHEMBL1255235 0.88 PDE2A (0.50) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL1254584 0.84 PDE2A (0.55) TBXA2RPTGDRPDE2A
SCHEMBL1255659 0.84 PDE2A (0.55) TBXA2RPTGDRPDE2A
SCHEMBL5420470 0.81 PTGDR (0.48) TBXA2RPTGDRPDE2AS1PR1
SCHEMBL4093843 0.81 PTGDR (0.48) TBXA2RPTGDRPDE2AS1PR1
SCHEMBL9019672 0.81 BRD3 (0.60) TBXA2RS1PR1
SCHEMBL10413574 0.79 TBXA2R (0.42) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL29141418 0.78 S1PR1 (0.47) S1PR1
SCHEMBL29141438 0.78 S1PR1 (0.47) S1PR1
SCHEMBL30762335 0.78 S1PR1 (0.47) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1070462-A None JP disclosed
EP-0209435-B1 Hydroxyalkoxy-4-phenylpropyl indole derivatives, their salts, process and intermediates for their preparation, use as medicines and compositions containing them ROUSSEL UCLAF (FR) 1993-11-24 EP disclosed
EP-0239306-B1 TETRAHYDROCARBAZOLE ESTERS MERCK FROSST CANADA INC. (CA) 1993-06-02 EP disclosed
EP-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 EP disclosed
US-4940719-A Tetrahydrocarbazole esters, pharmaceutical compositions and use MERCK FROSST CANADA, INC. (CA) 1990-07-10 US disclosed
EP-0310179-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1989-04-05 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-0239306-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1987-09-30 EP disclosed
EP-0234708-A1 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1987-09-02 EP disclosed