SCHEMBL13659999

SCHEMBL13659999

CCC(C)CC(C(=O)Nc1ccc(O)c2ncccc12)C(C)(C)CC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
KDM4E B2RXH2 6/20 0.45
COMT P21964 1/20 0.44
MMP2 P08253 3/20 0.43
PDE4D Q08499 1/20 0.43
UQCRB P14927 1/20 0.43
NPC1 O15118 3/20 0.40
HTT P42858 3/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FTO Q9C0B1 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL13660081 0.85 IDO1 (0.51) IDO1KDM4ECOMTMMP2PDE4D
SCHEMBL13656141 0.81 IDO1 (0.59) IDO1KDM4ECOMTMMP2PDE4D
SCHEMBL7032474 0.71 IDO1 (0.61) IDO1KDM4EMMP2PDE4DNPC1
SCHEMBL1133560 0.70 KDM4E (0.54) IDO1KDM4ECOMTMMP2PDE4D
SCHEMBL7040443 0.69 MEN1 (0.66) IDO1KDM4EPDE4DUQCRBNPC1
SCHEMBL7924722 0.68 KDM4E (0.57) IDO1KDM4EMMP2PDE4DNPC1
SCHEMBL13660162 0.68 RIPK1 (0.50) MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL12599076 0.67 IDO1 (1.00) IDO1KDM4EMMP2UQCRBNPC1
SCHEMBL12599074 0.67 IDO1 (1.00) IDO1KDM4ECOMTMMP2NPC1
SCHEMBL3900251 0.66 PDE4D (0.60) IDO1KDM4EMMP2PDE4DUQCRB

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