SCHEMBL18456875

SCHEMBL18456875

O=C(O)Cn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 1.00
TBXA2R P21731 7/20 1.00
PTGDR Q13258 6/20 1.00
ABCB11 O95342 1/20 0.83
CYP2C9 P11712 1/20 0.83
DRD1 P21728 1/20 0.83
CCKAR P32238 1/20 0.83

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
SCHEMBL16558830 1.00 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9879982 0.92 PTGDR2 (0.85) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL29031 0.91 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL20769768 0.91 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL1427851 0.91 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL29030 0.91 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL29503087 0.91 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL19799335 0.90 PTGDR2 (0.82) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL698600 0.90 PTGDR2 (0.82) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL1427848 0.90 PTGDR2 (0.98) PTGDR2TBXA2RPTGDRABCB11CYP2C9

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
WO-2017019858-A1 SINGLE NUCLEOTIDE POLYMORPHIC ALLELES OF HUMAN DP-2 GENE FOR DETECTION OF SUSCEPTIBILITY TO HAIR GROWTH INHIBITION BY PGD2 THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-02-02 WO disclosed