SCHEMBL3959570

SCHEMBL3959570

CC(OCCc1ccccc1)OC(C)OCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
IDO1 P14902 1/20 0.41
SIGMAR1 Q99720 5/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AOC3 Q16853 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL14094028 0.92 CA1 (0.39) CA1CA2CA9IDO1SIGMAR1
SCHEMBL4449191 0.91 CA1 (0.44) CA1CA2CA9IDO1SIGMAR1
SCHEMBL20742003 0.89 ALDH1A1 (0.39) CA1CA2CA9IDO1SIGMAR1
SCHEMBL682845 0.86 CA1 (0.40) CA1CA2CA9IDO1SIGMAR1
SCHEMBL585803 0.84 LMNA (0.46) CA1CA2CA9IDO1SIGMAR1
SCHEMBL531070 0.84 CA1 (0.39) CA1CA2CA9IDO1SIGMAR1
SCHEMBL3815806 0.84 CA1 (0.39) CA1CA2CA9IDO1SIGMAR1
SCHEMBL28840493 0.84 DHFR (0.32) CA1CA2CA9IDO1SIGMAR1
SCHEMBL28840922 0.83 SMN1; SMN2 (0.33) CA1CA2CA9SIGMAR1TSHR
SCHEMBL92354 0.83 CA1 (0.44) CA1CA2CA9IDO1SIGMAR1

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-7494747-B2 Holographic recording medium KABUSHIKI KAISHA TOSHIBA (JP) 2009-02-24 US disclosed
US-20050196679-A1 Holographic recording medium KABUSHIKI KAISHA TOSHIBA 2005-09-08 US disclosed