SCHEMBL4870140

SCHEMBL4870140

CCCCc1ccc(N(c2ccc(CCCC)cc2)c2cccc(SC)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
SIGMAR1 Q99720 2/20 0.37
BCHE P06276 1/20 0.36
LPL P06858 4/20 0.36
LIPG Q9Y5X9 4/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14488420 0.94 CNR2 (0.40) CA2CA1SIGMAR1BCHESMN1; SMN2
SCHEMBL4862712 0.92 CYP3A4 (0.36) CA2CA1SIGMAR1HPGD
SCHEMBL4862718 0.92 CYP3A4 (0.36) CA2CA1SIGMAR1HPGD
SCHEMBL3375646 0.90 ALDH1A1 (0.40) CA2CA1SIGMAR1ALDH1A1HPGD
SCHEMBL10042890 0.82 BCHE (0.47) CA2CA1BCHEALDH1A1HPGD
SCHEMBL3375843 0.82 BCHE (0.40) BCHE
SCHEMBL13989151 0.80 CA1 (0.43) CA2CA1BCHELPLLIPG
SCHEMBL9236703 0.80 CNR2 (0.46) CA2CA1BCHELPLLIPG
SCHEMBL5999718 0.79 LPL (0.46) LPLLIPGHPGD
SCHEMBL3373713 0.78 MAPT (0.43) SIGMAR1ALDH1A1HPGDHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 US disclosed
EP-1390664-A4 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES UNIV ARIZONA (US) 2008-01-02 EP disclosed
US-20050173683-A1 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZ BD OF REGENTS ON BEHALF OF THE UNIV OF AZ (US) 2005-08-11 US disclosed
EP-1390664-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES The Arizona Board of Regents (US) 2004-02-25 EP disclosed
WO-2002079691-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2002-10-10 WO disclosed