SCHEMBL2381946

SCHEMBL2381946

CCCCC1NC(=O)NC1CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 4/20 0.44
ABL1 P00519 3/20 0.43
RIN1 Q13671 3/20 0.43
IDE P14735 1/20 0.43
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
HLCS P50747 2/20 0.42
GAA P10253 1/20 0.41
GBA1 P04062 1/20 0.38
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.34

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
SCHEMBL31324255 0.84 TDP1 (0.38) ALDH1A1MAPTKDM4EMEN1PKM
SCHEMBL6561453 0.79 ABL1 (0.65) ALDH1A1HPGDTDP1ABL1RIN1
SCHEMBL30980779 0.79 ABL1 (0.65) ALDH1A1HPGDTDP1ABL1RIN1
SCHEMBL17021214 0.75 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1PKM
Ethylene SCHEMBL27552714 0.73 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EMEN1PKM
SCHEMBL6269532 0.73 TDP1 (0.36) ALDH1A1MAPTPKMTDP1ABL1
SCHEMBL931066 0.72
SCHEMBL19303363 0.72 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1PKM
SCHEMBL472502 0.71 ALDH1A1 (0.70) ALDH1A1MAPTKDM4EMEN1PKM
SCHEMBL9063018 0.70 ALDH1A1 (0.76) ALDH1A1MAPTKDM4EMEN1PKM

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-2103660-B1 Ink jet ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KK (JP) 2016-07-20 EP disclosed
US-8025722-B2 Ink jet ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2011-09-27 US disclosed
US-20090238977-A1 INK JET INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-09-24 US disclosed
EP-2103660-A2 Ink jet ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus Canon Kabushiki Kaisha (JP) 2009-09-23 EP disclosed