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SCHEMBL7902218

SCHEMBL7902218

CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51

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
SCHEMBL5453985 1.00 ALDH1A1 (0.51) ALDH1A1
SCHEMBL8102931 0.98 ALDH1A1 (0.49) ALDH1A1
SCHEMBL8110849 0.98 ALDH1A1 (0.52) ALDH1A1
SCHEMBL8112485 0.97 ALDH1A1 (0.48) ALDH1A1
SCHEMBL8117682 0.97 ALDH1A1 (0.51) ALDH1A1
SCHEMBL8103055 0.95 ALDH1A1 (0.47) ALDH1A1
Fumaric Acid SCHEMBL956032 0.95 ALDH1A1 (0.47) ALDH1A1
SCHEMBL8111916 0.92 ALDH1A1 (0.54) ALDH1A1
SCHEMBL8102935 0.91 ALDH1A1 (0.61) ALDH1A1
SCHEMBL8103270 0.91 CYP3A4 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191281-B1 CRYSTALS OF A SALT OF (S)-(-)-2-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-3-(3-(N-METHYL-N -(2-(3,4-METHYLENEDIOXYPHENOXY)ETHYL)AMINO)PROPYL)-1, 3-THIAZOLIDINE-4-ONE, USEFUL AS ANTIISCHEMIC AGENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-02-20 — — US claimed
EP-0974591-A1 CRYSTALLINE FUMARATE OF 2-PHENYL-1,3-THIAZOLIDINE-4-ON DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-01-26 — — EP claimed
US-6191281-B1 CRYSTALS OF A SALT OF (S)-(-)-2-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-3-(3-(N-METHYL-N -(2-(3,4-METHYLENEDIOXYPHENOXY)ETHYL)AMINO)PROPYL)-1, 3-THIAZOLIDINE-4-ONE, USEFUL AS ANTIISCHEMIC AGENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-02-20 — — US disclosed
EP-0974591-A1 CRYSTALLINE FUMARATE OF 2-PHENYL-1,3-THIAZOLIDINE-4-ON DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-01-26 — — EP disclosed