SCHEMBL17996980

SCHEMBL17996980

COc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA12 O43570 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ACHE P22303 3/20 0.47
BCHE P06276 2/20 0.47
ESR2 Q92731 1/20 0.46
APP P05067 1/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 3/20 0.42
TP53 P04637 1/20 0.42
CASP3 P42574 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ENPP2 Q13822 1/20 0.41

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
SCHEMBL5157414 0.92 SLC22A2 (0.43) CA1CA2CA7CA9CA12
SCHEMBL13918083 0.89 KDM4E (0.51) ACHEBCHENPC1RAB9ASMN1; SMN2
SCHEMBL17997002 0.86 CHRNA7 (0.41) CA1CA2CA7CA9CA12
SCHEMBL23152667 0.82 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL19607291 0.80 ACHE (0.51) CA1CA2CA7CA9CA12
SCHEMBL19607240 0.80 ACHE (0.44) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL6702516 0.80 CA4 (0.48) CA1CA2CA7CA9CA12
SCHEMBL12239731 0.79 ACHE (0.48) CA1CA2CA7CA9ACHE
SCHEMBL12240439 0.79 ACHE (0.48) CA1CA2CA7CA9ACHE
SCHEMBL17996988 0.78 ALDH1A3 (0.44) CA9CA12MAPK1TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374230-A1 CROSSLINKED GEL FORMULATION ESSILOR INTERNATIONAL (FR) 2023-11-23 US disclosed
US-20230220274-A1 ELECTROCHROMIC SOLUTION ESSILOR INTERNATIONAL (FR) 2023-07-13 US disclosed
US-20230220274-A1 ELECTROCHROMIC SOLUTION ESSILOR INTERNATIONAL (FR) 2023-07-13 US disclosed
US-10444588-B2 Electrochromic element, optical filter, lens unit, imaging apparatus, and window member CANON KABUSHIKI KAISHA (JP) 2019-10-15 US disclosed
US-20180052375-A1 ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING APPARATUS, AND WINDOW MEMBER CANON KABUSHIKI KAISHA (JP) 2018-02-22 US disclosed
US-20180052375-A1 ELECTROCHROMIC ELEMENT, OPTICAL FILTER, LENS UNIT, IMAGING APPARATUS, AND WINDOW MEMBER CANON KABUSHIKI KAISHA (JP) 2018-02-22 US disclosed
US-9841652-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-12-12 US disclosed
US-9841652-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-12-12 US disclosed
US-9785030-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-10-10 US disclosed
US-9785030-B2 Electrochromic composition ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2017-10-10 US disclosed
US-20160282694-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-09-29 US disclosed
US-20160231636-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-08-11 US disclosed
US-20160231636-A1 ELECTROCHROMIC COMPOSITION ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2016-08-11 US disclosed