SCHEMBL4746406

SCHEMBL4746406

Clc1ccc(-c2csc3cc(OCCCCCBr)ccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 5/20 0.53
ALDH2 P05091 3/20 0.43
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL8479461 0.89 LSS (0.66) LSSALDH2MAOAMAOBALDH1A1
SCHEMBL5039824 0.88 LSS (0.64) LSSALDH2MAOAMAOBALDH1A1
SCHEMBL5045728 0.86 LSS (0.52) LSSALDH2MAOAMAOBALDH1A1
SCHEMBL5035264 0.84 LSS (0.62) LSSALDH2MAOAMAOBALDH1A1
SCHEMBL5038373 0.82 LSS (0.50) LSSALDH2MAOAMAOBALDH1A1
SCHEMBL4744399 0.76 MIF (0.48) LSSMAPT
SCHEMBL4746424 0.76 ALDH2 (0.65) LSSALDH2MAOAMAOB
SCHEMBL4746357 0.76 ALDH2 (0.65) LSSALDH2MAOAMAOB
SCHEMBL5040185 0.76 LSS (0.57) LSSALDH2MAOAMAOBMAPT
SCHEMBL5038961 0.75 LSS (0.70) LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008107321-A1 HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed