Sugi Predict

Sugi Predict / Compounds / SCHEMBL8102931

SCHEMBL8102931

SCHEMBL8102931

CN(CCCCN1C(=O)CSC1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2

nearest known ligand 0.95

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL8112485 0.99 ALDH1A1 (0.48) ALDH1A1
SCHEMBL5453985 0.98 ALDH1A1 (0.51) ALDH1A1
SCHEMBL7902218 0.98 ALDH1A1 (0.51) ALDH1A1
SCHEMBL8117682 0.96 ALDH1A1 (0.51) ALDH1A1
SCHEMBL8110849 0.95 ALDH1A1 (0.52) ALDH1A1
SCHEMBL8103055 0.94 ALDH1A1 (0.47) ALDH1A1
Fumaric Acid SCHEMBL956032 0.93 ALDH1A1 (0.47) ALDH1A1
SCHEMBL8111916 0.90 ALDH1A1 (0.54) ALDH1A1
SCHEMBL8102935 0.89 ALDH1A1 (0.61) ALDH1A1
SCHEMBL8103270 0.88 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
EP-0705816-B1 BENZENE DERIVATIVE USEFUL FOR ISCHEMIC DISEASES CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-09-20 — — EP claimed
US-5998452-A CARDIOVASCULAR DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-12-07 — — US claimed
EP-0799614-A1 REMEDY FOR ISCHEMIC DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-10-08 — — EP claimed
EP-0705816-A1 BENZENE DERIVATIVE USEFUL FOR ISCHEMIC DISEASES Chugai Seiyaku Kabushiki Kaisha (JP) 1996-04-10 — — EP claimed