SCHEMBL22276282

SCHEMBL22276282

O=C(NC1(C23CCC(C(=O)O)(CC2)C3)CC1)c1cccc2ccn(Cc3ccc(C(F)(F)F)cc3)c12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.65
PTGDR Q13258 7/20 0.65
TBXA2R P21731 1/20 0.65
PTGER1 P34995 1/20 0.65
PTGFR P43088 1/20 0.65
PTGER3 P43115 1/20 0.65
PTGER2 P43116 1/20 0.65
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
DRD4 P21917 1/20 0.39
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
KCNQ4 P56696 2/20 0.37
KCNQ5 Q9NR82 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
FABP4 P15090 2/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35

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
SCHEMBL22276038 0.95 PTGER4 (0.66) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL23879095 0.95 PTGER4 (0.67) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL29403055 0.95 PTGER4 (0.67) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL22276284 0.91 PTGER4 (0.60) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL29406591 0.88 PTGER4 (0.61) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL31070930 0.87 PTGER4 (0.61) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL20542005 0.86 PTGER4 (0.67) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL22276287 0.84 PTGER4 (0.66) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL23879087 0.84 PTGER4 (0.51) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL29403043 0.84 PTGER4 (0.51) PTGER4PTGDRTBXA2RPTGER1PTGFR

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-3889134-A1 COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2021-10-06 EP disclosed
WO-2020151566-A1 COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF 凯复制药有限公司 2020-07-30 WO disclosed