SCHEMBL21032164

SCHEMBL21032164

Cc1c(Cc2ccc3c(c2)CCS3)c2ccccc2n1CC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.65
AKR1A1 P14550 1/20 0.46
AKR1B1 P15121 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
STAT3 P40763 1/20 0.44

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
SCHEMBL21032217 0.89 PTGDR2 (0.66) PTGDR2AKR1B1
SCHEMBL21031903 0.87 PTGDR2 (0.57) PTGDR2AKR1A1AKR1B1
SCHEMBL21032466 0.87 PTGDR2 (0.67) PTGDR2
SCHEMBL21032709 0.87 PTGDR2 (0.67) PTGDR2
SCHEMBL21032511 0.87 PTGDR2 (0.49) PTGDR2AKR1A1AKR1B1
SCHEMBL21032593 0.85 PTGDR2 (0.48) PTGDR2
SCHEMBL21031858 0.84 PTGDR2 (0.51) PTGDR2
SCHEMBL24180035 0.83 PTGDR2 (0.64) PTGDR2AKR1B1
SCHEMBL21031848 0.81 PTGDR2 (0.48) PTGDR2
SCHEMBL21032195 0.79 PTGDR2 (0.67) PTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489233-B1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-01-12 EP disclosed
EP-3489233-A1 INDOLE DERIVATIVE USED AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed