SCHEMBL14872129

SCHEMBL14872129

CCC(C)C(C(=O)O)N1C(=O)C=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
BLM P54132 2/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THPO P40225 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MGLL Q99685 1/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
WRN Q14191 1/20 0.34
HIF1A Q16665 1/20 0.34
ACE P12821 3/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
DNMT1 P26358 1/20 0.33
MME P08473 2/20 0.33
CPA1 P15085 2/20 0.33

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
SCHEMBL9818578 1.00 ALDH1A1 (0.34) ALDH1A1BLMGMNNLMNAMAPT
SCHEMBL21917545 0.81 ALDH1A1 (0.39) ALDH1A1BLMLMNAMAPTNPSR1
SCHEMBL24872285 0.80 DNMT1 (0.36) ALDH1A1BLMNPSR1MGLLCYP1A2
SCHEMBL21772524 0.80 DNMT1 (0.36) ALDH1A1BLMNPSR1MGLLCYP1A2
SCHEMBL1564220 0.78 ALDH1A1 (0.40) ALDH1A1LMNAACEMMECPA1
SCHEMBL21917311 0.77 CHRM2 (0.37) ALDH1A1BLMLMNAMAPTCYP1A2
SCHEMBL14868147 0.77 CHRM2 (0.37) ALDH1A1BLMLMNAMAPTCYP1A2
SCHEMBL15394471 0.77 CHRM2 (0.37) ALDH1A1BLMLMNAMAPTCYP1A2
SCHEMBL19359279 0.76 TP53 (0.52) ALDH1A1LMNAHPGDKMT2A
SCHEMBL964946 0.75 DNMT1 (0.44) ALDH1A1BLMGMNNLMNAMAPT

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
US-9416289-B2 Active-energy-ray-curable inkjet ink composition, active-energy-ray-curable inkjet ink, and inkjet recording method Konica Minolta, Inc. (JP) 2016-08-16 US disclosed
US-9175180-B2 Inkjet ink and inkjet image formation method using same Konica Minolta, Inc. (JP) 2015-11-03 US disclosed
US-20130095236-A1 INKJET INK AND INKJET IMAGE FORMATION METHOD USING SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2013-04-18 US disclosed