SCHEMBL9879834

SCHEMBL9879834

C=CCC(CC=C)(C(=O)Cl)C(=O)Cl

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.32

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
SCHEMBL8615816 0.78 ALDH1A1 (0.34) ALDH1A1TSHRHTT
SCHEMBL1245995 0.76 ALDH1A1 (0.33) ALDH1A1TSHRHTT
SCHEMBL873725 0.74 TSHR (0.45) ALDH1A1TSHRHTT
SCHEMBL1114546 0.74
SCHEMBL7371095 0.74
SCHEMBL8613379 0.74 ALDH1A1 (0.32) ALDH1A1TSHRHTT
SCHEMBL6831466 0.72 ALDH1A1 (0.38) ALDH1A1TSHRHTT
SCHEMBL17818667 0.72 ALDH1A1 (0.43) ALDH1A1TSHRHTT
SCHEMBL5615548 0.72 ALDH1A1 (0.34) ALDH1A1TSHRHTT
SCHEMBL1640508 0.72 HTT (0.45) ALDH1A1TSHRHTT

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
US-4999366-A Treatment of hyperlipidemia THE NORTH CAROLINA CENTRAL UNIV. (US) 1991-03-12 US disclosed
US-4946963-A HYPOLIPIDEMIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1990-08-07 US disclosed
EP-0321090-A2 Isoxazolidine-3,5-diones in the treatment of hyperlipidemia THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1989-06-21 EP disclosed