SCHEMBL9546036

SCHEMBL9546036

CCCCC(C)CC(O)C=CC1C=C([S+]([O-])Cc2ccc(Cl)cc2)C(=O)C1=CCCCC=CC(=O)OC

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.30
▸ PTGER3 P43115 1/20 0.30
▸ PTGER2 P43116 1/20 0.30

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
SCHEMBL9546033 1.00 PTGER4 (0.30) PTGER4PTGER3PTGER2
SCHEMBL9546147 0.85 MEN1 (0.31) —
SCHEMBL9546150 0.85 MEN1 (0.31) —
SCHEMBL10603623 0.84 PTGER4 (0.35) PTGER4PTGER3PTGER2
SCHEMBL10605053 0.84 PTGER4 (0.35) PTGER4PTGER3PTGER2
SCHEMBL10606677 0.76 MAPT (0.37) PTGER4PTGER3PTGER2
SCHEMBL10606689 0.76 MAPT (0.37) PTGER4PTGER3PTGER2
SCHEMBL9546094 0.73 PTGER4 (0.32) PTGER4PTGER3PTGER2
SCHEMBL9546093 0.73 PTGER4 (0.32) PTGER4PTGER3PTGER2
SCHEMBL10603544 0.69 PTGIR (0.47) PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338796-B1 2-SUBSTITUTED-2-CYCLOPENTENONES TEIJIN LIMITED (JP) 1993-03-10 — — EP disclosed
US-5116869-A Antitumor Agents, Bone Formation Accelerator TEIJIN LIMITED (JP) 1992-05-26 — — US disclosed
EP-0338796-A2 2-Substituted-2-cyclopentenones TEIJIN LIMITED (JP) 1989-10-25 — — EP disclosed
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