SCHEMBL2338744

SCHEMBL2338744

C=C(OC(=C)C1CCCO1)C1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.46
ALDH1A1 P00352 6/20 0.35
HPGD P15428 6/20 0.35
POLB P06746 3/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL91174 0.81 NOS2 (0.36) NOS2ALDH1A1HPGDPOLBNPC1
SCHEMBL91173 0.81 ALDH1A1 (0.39) NOS2ALDH1A1HPGDPOLBNPC1
SCHEMBL10980454 0.77 NOS2 (0.30) NOS2
SCHEMBL17067966 0.75
SCHEMBL10853895 0.73
SCHEMBL22332736 0.73
SCHEMBL12060991 0.73
SCHEMBL18541708 0.73
SCHEMBL13064286 0.73
SCHEMBL27699458 0.73

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1700890-B1 Ink composition, inkjet recording method, printed material, method of producing planographic printing plate, and planographic printing plate FUJIFILM CORP (JP) 2011-08-24 EP disclosed
US-20060204732-A1 Ink composition, inkjet recording method, printed material, method of producing planographic printing plate, and planographic printing plate FUJI PHOTO FILM CO., LTD. 2006-09-14 US disclosed
EP-1700890-A2 Ink composition, inkjet recording method, printed material, method of producing planographic printing plate, and planographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2006-09-13 EP disclosed