SCHEMBL13656129

SCHEMBL13656129

CCC(C)c1ccc(C(=O)NO)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.71
HDAC8 Q9BY41 9/20 0.71
HDAC1 Q13547 10/20 0.62
HDAC2 Q92769 4/20 0.52
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL3434974 0.85 PLK1 (0.56) HDAC6HDAC8HDAC1HDAC2TSHR
SCHEMBL11990190 0.84 MLYCD (0.53) HDAC6HDAC8TSHRNPSR1NPC1
SCHEMBL13345377 0.84 HDAC8 (0.50) HDAC6HDAC8HDAC1TSHRNPSR1
SCHEMBL13656131 0.83 SCN9A (0.50) HDAC6HDAC8HDAC1TSHRNPSR1
SCHEMBL5943921 0.80 HDAC6 (0.71) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL9101659 0.80 ALDH1A1 (0.53) HDAC6HDAC8TSHRNPSR1NPC1
SCHEMBL2690287 0.79 HDAC1 (0.69) HDAC6HDAC8HDAC1HDAC2HDAC3
SCHEMBL765363 0.79 TSHR (0.54) HDAC6HDAC8TSHRNPSR1NPC1
SCHEMBL115710 0.79 TSHR (0.56) TSHRNPSR1NPC1ALDH1A1TP53
SCHEMBL14549283 0.79 TSHR (0.56) TSHRNPSR1NPC1ALDH1A1TP53

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-20090246481-A1 DISPERSION OF WATER-INSOLUBLE COLORANT, METHOD OF PRODUCING SUBSTANCE CONTAINING WATER-INSOLUBLE COLORANT, FINE PARTICLES OF WATER-INSOLUBLE COLORANT, DISPERSING AGENT FOR WATER-INSOLUBLE COLORANT, AND RECORDING LIQUID, INK SET, PRINTED ARTICLE, METHOD OF FORMING IMAGE AND IMAGE FORMING APPARATUS USING THE SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed