SCHEMBL24861973

SCHEMBL24861973

COC(=O)c1ccc(C(C)NC(=O)c2c(C(F)(F)F)nn(C)c2Oc2csc(C(F)(F)F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 9/20 0.61
▸ PTGER2 P43116 1/20 0.49
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ PHGDH O43175 3/20 0.35
▸ GPR139 Q6DWJ6 2/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 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
SCHEMBL24861972 1.00 PTGER4 (0.61) PTGER4PTGER2LMNANPSR1L3MBTL1
SCHEMBL24861806 0.92 PTGER4 (0.72) PTGER4PTGER2LMNANPSR1PHGDH
SCHEMBL24861730 0.92 PTGER4 (0.72) PTGER4PTGER2LMNANPSR1PHGDH
SCHEMBL26417346 0.92 PTGER4 (0.61) PTGER4PTGER2LMNAPDE2APHGDH
SCHEMBL24861807 0.90 PTGER4 (0.62) PTGER4PTGER2PDE2APHGDHGPR139
SCHEMBL24861731 0.88 PTGER4 (0.57) PTGER4PTGER2LMNANPSR1L3MBTL1
SCHEMBL28709264 0.86 PTGER4 (0.59) PTGER4PTGER2LMNANPSR1L3MBTL1
SCHEMBL26416555 0.84 PTGER4 (0.62) PTGER4PTGER2PHGDH
SCHEMBL26417363 0.84 PTGER4 (0.72) PTGER4PTGER2PHGDH
SCHEMBL15249860 0.83 PTGER4 (0.68) PTGER4PTGER2LMNANPSR1

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-4116291-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCERS AND INFLAMMATIONS Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-01-11 — — EP disclosed
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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