SCHEMBL10050658

SCHEMBL10050658

CCC(C)C(=O)OCCOc1ccc2c(=O)c3ccccc3sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOA P21397 13/20 0.41
MAOB P27338 13/20 0.41
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38

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
SCHEMBL10050649 0.93 KDM4E (0.53) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL12455584 0.88 KDM4E (0.52) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL24949022 0.83 KDM4E (0.47) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL12994160 0.83 KDM4E (0.52) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL13338896 0.81 TDP1 (0.45) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL13338845 0.81 KDM4E (0.55) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL13338844 0.81 KDM4E (0.55) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL10050664 0.80 MCL1 (0.39) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL14021074 0.80 KDM4E (0.51) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL11994246 0.80 THRB (0.54) KDM4ENPC1ALDH1A1MAPTRAB9A

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
US-8796357-B2 Ink composition, image forming method, and print material FUJIFILM CORPORATION (JP) 2014-08-05 US disclosed
US-20120238691-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINT MATERIAL FUJIFILM CORPORATION (JP) 2012-09-20 US disclosed
US-8097688-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-01-17 US disclosed
US-20100227076-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-09 US disclosed