SCHEMBL21027872

SCHEMBL21027872

C[S+]([O-])c1ccc(Cc2c3n(c4ccccc24)CC(C(=O)O)CC3)cn1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.43
PTGDR Q13258 5/20 0.42
TBXA2R P21731 2/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL21027854 0.83 PTGDR2 (0.46) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL21027853 0.75 PTGDR2 (0.46) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL21028289 0.73 PTGDR2 (0.45) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL21028284 0.70 HTR2A (0.46) PTGDR2PTGDRTBXA2R
SCHEMBL21027856 0.70 PTGDR2 (0.47) PTGDR2PTGDRTBXA2R
SCHEMBL21028003 0.68 PTGDR2 (0.49) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL21027977 0.67 PTGDR2 (0.51) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL21027843 0.67 PTGDR2 (0.51) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL21028331 0.67 PTGDR2 (0.40) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL21028288 0.66 PTGDR2 (0.52) PTGDR2PTGDRTBXA2RCYP2C9

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