SCHEMBL8980256

SCHEMBL8980256

O=C(O)CCn1c2c(c3ccccc31)CC(NS(=O)(=O)c1ccc(Cl)cc1)CC2

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.83
TBXA2R P21731 11/20 0.83
PTGDR Q13258 6/20 0.83
ABCB11 O95342 1/20 0.83
CYP2C9 P11712 1/20 0.83
DRD1 P21728 1/20 0.83
CCKAR P32238 1/20 0.83
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL9833660 0.93 PTGDR2 (0.87) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL29503087 0.91 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL20769768 0.91 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL29030 0.91 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL9870636 0.91 PTGDR2 (0.83) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL29031 0.91 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL1427851 0.91 PTGDR2 (1.00) PTGDR2TBXA2RPTGDRABCB11CYP2C9
SCHEMBL698600 0.91 PTGDR2 (0.82) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL1427848 0.90 PTGDR2 (0.98) PTGDR2TBXA2RPTGDRABCB11CYP2C9
Ramatroban SCHEMBL1427850 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545168-B1 Optically active polymer beads containing a filler BAYER AG (DE) 1996-04-24 EP disclosed
EP-0464488-B1 Optically active N-alpha-fluoroacryloyl-aminoacid derivatives, their preparation, optically active polymers prepared therefrom and their use for the separation of racemates BAYER AG (DE) 1995-09-27 EP disclosed
EP-0379917-B1 Optically active (meth)acrylic-acid derivatives, their preparation, their polymerisation into optically active polymers and their use BAYER AG (DE) 1995-08-09 EP disclosed
US-5354884-A Polymer used as adsorbants for the chromatographic resolution of racemates into their enantiomers BAYER AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
US-5348656-A Adsorbants for optical resolution BAYER AKTIENGESELLSCHAFT (DE) 1994-09-20 US disclosed
US-5292924-A Optically active N-α-fluoroacryloylamino acid polymers for the resolution of racemates BAYER AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
US-5274167-A A N-(meth)acryloyl amino acid amide BAYER AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
EP-0545168-A1 Optically active polymer beads containing a filler BAYER AG (DE) 1993-06-09 EP disclosed
EP-0242518-B1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1991-04-10 EP disclosed
US-4988820-A Inhibiting platelet aggregation, anticoagulants, thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4965258-A Anticoagulant; thromboxane a2 antagonist BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed
EP-0379917-A2 Optically active (meth)acrylic-acid derivatives, their preparation, their polymerisation into optically active polymers and their use BAYER AG (DE) 1990-08-01 EP disclosed
US-4904797-A REACTING A (BENZENESULFONAMIDOALKYL)CYCLOALKANO(1,2-B)INDOLE WITH ACRYLONITRILE; HYDROLYSIS, HYDROGENATION, REDUCTION BAYER AKTIENGESELLSCHAFT (DE) 1990-02-27 US disclosed
US-4827032-A INTERMEDIATES FOR ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-05-02 US disclosed
EP-0242518-A1 Cycloalkano[1,2-b]indole-sulfonamides BAYER AG (DE) 1987-10-28 EP disclosed