SCHEMBL4207957

SCHEMBL4207957

COc1ccccc1-[n+]1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA12 O43570 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ CA4 P22748 1/20 0.50
▸ ACHE P22303 7/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ BCHE P06276 6/20 0.41
▸ APP P05067 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ENPP2 Q13822 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
Hydrochloric Acid SCHEMBL6702520 0.98 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL16754277 0.92 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL17996981 0.77 ACHE (0.39) CA1CA2CA7CA9CA12
SCHEMBL9032017 0.76 CYP1A1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL19607241 0.73 ACHE (0.48) CA1CA2CA7CA9CA12
SCHEMBL11235009 0.73 IDO1 (0.40) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL27452731 0.72 CA1 (0.93) CA1CA2CA7CA9CA12
SCHEMBL29725175 0.70 ACHE (0.43) CA1CA2CA7CA9CA12
SCHEMBL971422 0.70 ACHE (0.43) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL5308636 0.69 CA1 (1.00) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154311-A9 ELECTROCHROMIC ELEMENT Nippon Mitsubishi Oil Corporation (JP) 2009-03-11 — — EP disclosed
US-6816298-B2 CAN BE PRODUCED WITH INEXPENSIVE CHROMOGENIC MATERIALS; DISPLAY DEVICES, SMART WINDOWS, ANTIGLARE MIRRORS FOR AUTOMOBILES, ELECTROCHROMIC MIRRORS; A BIPYRIDINIUM METALLOCENE COMPOUND IN THE ION CONDUCTIVE LAYER NIPPON MITSUBISHI OIL CORPORATION (JP) 2004-11-09 — — US disclosed
US-20030184839-A1 Electrochromic device NIPPON MITSUBISHI OIL CORPORATION 2003-10-02 — — US disclosed
US-6519072-B2 Electrochromic device NIPPON MITSUBISHI OIL CORPORATION (JP) 2003-02-11 — — US disclosed
US-20020015214-A1 Electrochromic Device NIPPON MITSUBISHI OIL CORPORATION 2002-02-07 — — US disclosed
EP-1154311-A1 ELECTROCHROMIC ELEMENT Nippon Mitsubishi Oil Corporation (JP) 2001-11-14 — — EP disclosed
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