SCHEMBL13656131

SCHEMBL13656131

CCC(C)c1ccc(C(=O)NS(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SCN5A Q14524 2/20 0.45
TSHR P16473 2/20 0.45
P4HTM Q9NXG6 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
HDAC1 Q13547 1/20 0.44
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
CYP2C9 P11712 1/20 0.43
PHGDH O43175 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL17971206 0.83 KDM4E (0.62) SCN9AHDAC8HDAC6KDM4ELMNA
SCHEMBL13656129 0.83 HDAC6 (0.71) HDAC8HDAC6TSHRNPC1RAB9A
SCHEMBL20364782 0.82 HDAC8 (0.45) SCN9AHDAC8HDAC6LMNASCN5A
SCHEMBL13655802 0.80 ROCK2 (0.53) SCN9AHDAC8HDAC6KDM4ELMNA
SCHEMBL3434974 0.80 PLK1 (0.56) HDAC8HDAC6TSHRNPC1RAB9A
SCHEMBL11990190 0.78 MLYCD (0.53) HDAC8HDAC6LMNATSHRNPC1
SCHEMBL13345377 0.78 HDAC8 (0.50) HDAC8HDAC6LMNATSHRNPC1
SCHEMBL2564681 0.77 RAB9A (0.56) KDM4ELMNATSHRNPC1RAB9A
SCHEMBL7973340 0.76 PLK1 (0.61) SCN9AKDM4ELMNATSHRP4HTM
SCHEMBL12630753 0.76 OPRK1 (0.48) HDAC8HDAC6KDM4ELMNATSHR

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