SCHEMBL8479461

SCHEMBL8479461

BrCCCCCCOc1ccc2c(-c3ccc(Br)cc3)csc2c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.66
ALDH2 P05091 3/20 0.44
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5039824 0.99 LSS (0.64) LSSALDH2MAOAMAOBALDH1A1
SCHEMBL5035264 0.95 LSS (0.62) LSSALDH2MAOAMAOBALDH1A1
SCHEMBL4746406 0.89 LSS (0.53) LSSALDH2MAOAMAOBALDH1A1
SCHEMBL5045728 0.88 LSS (0.52) LSSALDH2MAOAMAOBALDH1A1
SCHEMBL5038961 0.86 LSS (0.70) LSS
Hydrochloric Acid SCHEMBL5038859 0.85 LSS (0.68) LSS
SCHEMBL5043205 0.85 LSS (0.66) LSS
SCHEMBL5038302 0.84 LSS (0.74) LSSALDH1A1MAPT
SCHEMBL5038373 0.84 LSS (0.50) LSSALDH2MAOAMAOBALDH1A1
SCHEMBL5035597 0.83 LSS (0.61) LSSALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5856503-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
EP-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed