SCHEMBL8516547

SCHEMBL8516547

SC=CCNc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CTSD P07339 1/20 0.36
MAOB P27338 2/20 0.35
CYP1A2 P05177 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAOA P21397 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL14647878 0.85 ALDH1A1 (0.52) CA12CA2CA9ALDH1A1MAPT
SCHEMBL12710386 0.85 ALDH1A1 (0.52) CA12CA2CA9ALDH1A1MAPT
SCHEMBL7713318 0.77 ALDH1A1 (0.44) CA12CA2CA9ALDH1A1MAPT
SCHEMBL16905688 0.77 MAPT (0.44) CA12CA2CA9ALDH1A1MAPT
SCHEMBL7713321 0.77 ALDH1A1 (0.44) CA12CA2CA9ALDH1A1MAPT
SCHEMBL4964230 0.77 ALDH1A1 (0.44) CA12CA2CA9ALDH1A1MAPT
SCHEMBL2786302 0.77 ALDH1A1 (0.44) CA12CA2CA9ALDH1A1MAPT
SCHEMBL2350761 0.77 MAPT (0.44) CA12CA2CA9ALDH1A1MAPT
SCHEMBL646261 0.77 ALDH1A1 (0.44) CA12CA2CA9ALDH1A1MAPT
SCHEMBL3337537 0.77 ALDH1A1 (0.50) CA12CA2CA9ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11124351-A None JP disclosed
JP-H11124351-A ION EXCHANGE RESIN AND PRODUCTION OF BISPHENOLS USING THE SAME RESIN MITSUBISHI CHEMICAL CORP 1999-05-11 JP disclosed