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Sugi Predict / Compounds / SCHEMBL4119831

SCHEMBL4119831

SCHEMBL4119831

CCCN(CCC(C)(C)C)C(=O)C(C(C(=O)N(CC)c1nccs1)n1c2c(c3ccc(OC)cc31)CCC(C)(C)C2)n1c2c(c3ccc(OC)cc31)CCC(C)(C)C2

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 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
SCHEMBL4119828 0.85 L3MBTL1 (0.32) KDM4EUSP2ALDH1A1HPGD
SCHEMBL4580316 0.77 L3MBTL1 (0.37) KDM4EUSP2ALDH1A1HPGD
SCHEMBL4580656 0.74 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL4104812 0.72 TSPO (0.39) KDM4EALDH1A1
SCHEMBL3988525 0.68 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL4119752 0.66 ALDH1A1 (0.43) KDM4EUSP2ALDH1A1HPGD
SCHEMBL4102580 0.66 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL4112361 0.65 PTGS1 (0.34) KDM4EALDH1A1
SCHEMBL4108440 0.65 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL3985510 0.64 TSPO (0.40) KDM4EALDH1A1

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-1802300-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-05-27 — — EP disclosed
EP-1802300-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-07-04 — — EP disclosed
WO-2006044232-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-04-27 — — WO disclosed