SCHEMBL13328569

SCHEMBL13328569

C=Cc1ccc(C[n+]2ccc(C(C)CC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ KDM4A O75164 2/20 0.37
▸ KDM2A Q9Y2K7 2/20 0.37
▸ CHKA P35790 7/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ CYP2C9 P11712 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL716407 0.80 ALDH1A1 (0.48) CYP2C9HDAC8ALDH1A1
SCHEMBL11517329 0.80 ALDH1A1 (0.48) CYP2C9HDAC8ALDH1A1
SCHEMBL25583315 0.79 CHKA (0.45) CHKABCHEACHECYP2C9ALDH1A1
SCHEMBL12193645 0.79 CHKA (0.42) CHKABCHEACHECYP2C9ALDH1A1
SCHEMBL12106899 0.79 CHKA (0.51) CHKAACHEALDH1A1
SCHEMBL31598838 0.78 ALDH1A1 (0.50) CA1CA2KDM4AKDM2ACHKA
SCHEMBL24038376 0.77 CHKA (0.49) CA1CA2KDM4AKDM2ACHKA
SCHEMBL12910774 0.77 CHKA (0.49) CA1CA2KDM4AKDM2ACHKA
SCHEMBL12193637 0.76 BCHE (0.44) CHKABCHEACHECYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL25439461 0.75 CHKA (0.47) CA1CA2KDM4AKDM2ACHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100112478-A1 WATER-DEVELOPABLE PHOTOSENSITIVE LITHOGRAPHIC PRINTING PLATE MATERIAL MITSUBISHI PAPER MILLS LIMITED (JP) 2010-05-06 — — US disclosed
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