SCHEMBL21028080

SCHEMBL21028080

C[S+]([O-])c1ccc(Cc2c3n(c4ccccc24)C(CC(=O)O)CCC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.39
PTGDR Q13258 3/20 0.37
TBXA2R P21731 2/20 0.37
HTR6 P50406 2/20 0.36
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGDR2 Q9Y5Y4 6/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL21028026 0.85 PTGDR2 (0.46) FFAR1PTGDRTBXA2RMEN1KMT2A
SCHEMBL21028289 0.80 PTGDR2 (0.45) PTGDRTBXA2RPTGDR2
SCHEMBL21028023 0.76 PTGDR2 (0.39) PTGDRKDM4EPTGDR2ALDH1A1
SCHEMBL21028076 0.75 KDM4E (0.42) FFAR1PTGDRTBXA2RKDM4EMEN1
SCHEMBL21027975 0.72 PTGDR2 (0.44) PTGDRTBXA2RHTR6KDM4EMEN1
SCHEMBL21028002 0.71 PTGDR2 (0.42) PTGDRTBXA2RMEN1KMT2AHSD17B10
SCHEMBL21028286 0.71 PTGDR2 (0.39) PTGDRTBXA2RKMT2APTGDR2
SCHEMBL21028081 0.67 PTGDR2 (0.39) PTGDRPTGDR2
SCHEMBL21028288 0.65 PTGDR2 (0.52) PTGDRTBXA2RPTGDR2
SCHEMBL24141336 0.64 PER2 (0.39) PTGDRPTGDR2

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