SCHEMBL28709264

SCHEMBL28709264

Cc1cc(C(C)NC(=O)c2c(C(F)(F)F)nn(C)c2Oc2csc(C(F)(F)F)c2)ccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 13/20 0.59
▸ PTGER2 P43116 3/20 0.48
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PHGDH O43175 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
SCHEMBL24861730 0.90 PTGER4 (0.72) PTGER4PTGER2LMNANPSR1PHGDH
SCHEMBL24861806 0.90 PTGER4 (0.72) PTGER4PTGER2LMNANPSR1PHGDH
SCHEMBL24861973 0.86 PTGER4 (0.61) PTGER4PTGER2LMNANPSR1L3MBTL1
SCHEMBL24861972 0.86 PTGER4 (0.61) PTGER4PTGER2LMNANPSR1L3MBTL1
SCHEMBL24861731 0.84 PTGER4 (0.57) PTGER4PTGER2LMNANPSR1L3MBTL1
SCHEMBL26417363 0.83 PTGER4 (0.72) PTGER4PTGER2PHGDH
SCHEMBL28702069 0.83 PTGER4 (0.64) PTGER4PTGER2LMNANPSR1POLB
SCHEMBL26417331 0.80 PTGER4 (0.72) PTGER4PTGER2PHGDH
SCHEMBL24861880 0.80 PTGER4 (0.72) PTGER4PTGER2PHGDH
SCHEMBL26416555 0.80 PTGER4 (0.62) PTGER4PTGER2CYP1A2CYP3A4CYP2C19

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
CN-113354585-A Synthesis of novel EP4 antagonists and their use in cancer and inflammation 湖北生物医药产业技术研究院有限公司 2021-09-07 — — CN disclosed
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