SCHEMBL21028289

SCHEMBL21028289

C[S+]([O-])c1ccc(Cc2c3n(c4ccccc24)CC(CC(=O)O)CC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.45
PTGDR Q13258 10/20 0.45
TBXA2R P21731 5/20 0.42
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
DRD2 P14416 1/20 0.42
GABRA1 P14867 1/20 0.42
ADRA1D P25100 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL21028288 0.85 PTGDR2 (0.52) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL21028080 0.80 FFAR1 (0.39) PTGDR2PTGDRTBXA2R
SCHEMBL21028022 0.77 PTGDR2 (0.42) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL24141360 0.76 PTGDR2 (0.45) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL21027861 0.75 PTGDR2 (0.43) PTGDR2PTGDRTBXA2R
SCHEMBL21028306 0.74 PTGDR2 (0.44) PTGDR2PTGDRTBXA2R
SCHEMBL21027872 0.73 PTGDR2 (0.43) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL21027859 0.72 PTGDR2 (0.51) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL21028019 0.71 PTGDR2 (0.64) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL21027863 0.70 PTGDR2 (0.52) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4

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-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed