SCHEMBL9016008

SCHEMBL9016008

c1ccc2c(c1)C[n+]1ccc(cc1)-c1cc[n+](cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39
SLC6A4 P31645 1/20 0.39
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CES1 P23141 1/20 0.32
MAOB P27338 2/20 0.31
ORAI1 Q96D31 1/20 0.31
ORAI2 Q96SN7 1/20 0.31
ORAI3 Q9BRQ5 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHKA P35790 2/20 0.31

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
SCHEMBL20618199 1.00 SLC22A2 (0.39) SLC22A2SLC22A1SLC22A3SLC6A4TSHR
SCHEMBL13190076 0.77 SRD5A2 (0.51) ALDH1A1
SCHEMBL15835862 0.70 CHKA (0.50) CHKA
SCHEMBL15835869 0.70 CHKA (0.50) CHKA
SCHEMBL2474526 0.63 CYP1A2 (0.41) TSHRCES1MAOBCYP2A6CYP1A2
SCHEMBL15529001 0.63 TSHR (0.38) TSHRCES1MAOBCYP1A2
SCHEMBL33555 0.62
SCHEMBL29351986 0.62
SCHEMBL34906 0.62
SCHEMBL4465325 0.62 TSHR (0.71) TSHRCES1MAOBORAI1ORAI2

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-0550601-B1 APPARATUS AND METHOD FOR DISINFECTING A CONTACT LENS AND DETECTING THE PRESENCE OF AN OXIDATIVE DISINFECTANT ALLERGAN INC (US) 1996-12-04 EP disclosed
US-5362444-A Method for disinfecting a contact lens and detecting the presence of an oxidative disinfectant ALLERGAN, INC. (US) 1994-11-08 US disclosed
EP-0550601-A1 APPARATUS AND METHOD FOR DISINFECTING A CONTACT LENS AND DETECTING THE PRESENCE OF AN OXIDATIVE DISINFECTANT. ALLERGAN INC (US) 1993-07-14 EP disclosed
WO-1992004922-A1 APPARATUS AND METHOD FOR DISINFECTING A CONTACT LENS AND DETECTING THE PRESENCE OF AN OXIDATIVE DISINFECTANT ALLERGAN, INC. (US) 1992-04-02 WO disclosed