SCHEMBL2597596

SCHEMBL2597596

Cc1ccc(-[n+]2cc[nH]c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
BCHE P06276 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CA2 P00918 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30
ORAI1 Q96D31 1/20 0.30
ORAI2 Q96SN7 1/20 0.30
ORAI3 Q9BRQ5 1/20 0.30
TRPV6 Q9H1D0 1/20 0.30

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
Hydrochloric Acid SCHEMBL28238911 0.98 ACHE (0.38) ACHEBCHETDP1CYP1A2CYP2D6
SCHEMBL28365341 0.80
Bromide SCHEMBL28346046 0.77 ACHE (0.43) ACHEBCHE
Hydrochloric Acid SCHEMBL28349197 0.77 ACHE (0.32) ACHE
Hydrochloric Acid SCHEMBL28415318 0.76 ACHE (0.42) ACHEBCHETDP1CA2
Bromide SCHEMBL28346055 0.76 ACHE (0.42) ACHEBCHETDP1CA2
Hydrochloric Acid SCHEMBL17583811 0.76 BCHE (0.30) ACHEBCHE
Iodide SCHEMBL28722276 0.76 BCHE (0.30) ACHEBCHE
Bromide SCHEMBL28959814 0.76 BCHE (0.32) ACHEBCHE
Hydrochloric Acid SCHEMBL27516101 0.72 HRH3 (0.37) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2574187-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris Biotechnologies, Inc. (US) 2013-04-03 EP disclosed
WO-2011146837-A1 SQUALANE AND ISOSQUALANE COMPOSITIONS AND METHODS FOR PREPARING THE SAME Amyris, Inc. (US) 2011-11-24 WO disclosed
EP-1093475-A1 CATALYST FOR THE POLYMERISATION OF OLEFINS Borealis Technology Oy (FI) 2001-04-25 EP disclosed
WO-2000001739-A1 CATALYST FOR THE POLYMERISATION OF OLEFINS BOREALIS TECHNOLOGY OY (FI) 2000-01-13 WO disclosed