SCHEMBL9810070

SCHEMBL9810070

CCCCCCCCCC(O)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.47
HDAC8 Q9BY41 7/20 0.46
HDAC3 O15379 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 4/20 0.46
EPHX1 P07099 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
NAAA Q02083 2/20 0.43
CNR2 P34972 1/20 0.43
ICMT O60725 1/20 0.41
ALB P02768 1/20 0.41
SOAT2 O75908 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
SCHEMBL8693018 0.98 CSNK1E (0.45) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL4167974 0.85 TDP1 (0.46) HDAC8HDAC3HDAC1HDAC2ALDH1A1
SCHEMBL5875341 0.81 HDAC8 (0.44) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL19271855 0.81 HDAC8 (0.44) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL28681232 0.81 HDAC8 (0.44) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL23861793 0.81 HDAC8 (0.44) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL4688472 0.81 HDAC8 (0.44) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL21499101 0.81 HDAC8 (0.44) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL20987622 0.81 HDAC8 (0.44) CSNK1EHDAC8HDAC3HDAC6HDAC1
SCHEMBL11214688 0.80 CSNK1E (0.57) CSNK1EHDAC8HDAC3HDAC6HDAC1

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-0277032-B1 THERMOCHROMIC DOUBLE-COMPLEX SALTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-05-29 EP disclosed
US-4971725-A TRANSITION METAL SALTS; USEFUL AS TEMPERATURE INDICATORS AND IN IMAGING APPLICATIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-11-20 US disclosed
US-4834909-A Thermochromic double-complex salts MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-05-30 US disclosed
EP-0277032-A2 Thermochromic double-complex salts MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-08-03 EP disclosed