SCHEMBL7201559

SCHEMBL7201559

CC(C)c1ccc(Cc2ccc(C(C)C)cc2N)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
GAA P10253 3/20 0.55
HTT P42858 3/20 0.55
HIF1A Q16665 2/20 0.55
ALOX12 P18054 1/20 0.55
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40
CASP7 P55210 1/20 0.40
LMNA P02545 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
RNASEH1 O60930 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SCN4A P35499 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20368393 0.87 ALDH1A1 (0.55) ALDH1A1GAAHTTHIF1AALOX12
SCHEMBL19633243 0.85 ALDH1A1 (0.53) ALDH1A1GAAHTTHIF1AALOX12
SCHEMBL27299822 0.83 ALDH1A1 (0.57) ALDH1A1GAAHTTHIF1AALOX12
SCHEMBL1066396 0.82 ALDH1A1 (0.62) ALDH1A1GAAHTTHIF1AALOX12
SCHEMBL14271869 0.80 ALDH1A1 (0.53) ALDH1A1GAAHTTHIF1AALOX12
SCHEMBL27309611 0.80 ALDH1A1 (0.48) ALDH1A1GAAHTTHIF1AALOX12
SCHEMBL29549360 0.77 ALDH1A1 (0.64) ALDH1A1GAAHTTHIF1AALOX12
SCHEMBL741007 0.77 ALDH1A1 (0.64) ALDH1A1GAAHTTHIF1AALOX12
SCHEMBL5050256 0.76 FABP3 (0.41) ALDH1A1GAAHTTHIF1AALOX12
SCHEMBL1824775 0.74 ALDH1A1 (0.41) ALDH1A1GAAHTTHIF1AALOX12

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
US-6596838-B1 Electrodialysis, electroosmosis, reverse osmosis COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2003-07-22 US disclosed