SCHEMBL8435801

SCHEMBL8435801

CCCCN(c1cccc(C)c1)C(C)OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 2/20 0.44
GPX4 P36969 2/20 0.44
NPC1 O15118 2/20 0.44
PAX8 Q06710 2/20 0.44
LTB4R2 Q9NPC1 1/20 0.35
MAPT P10636 3/20 0.34
POLQ O75417 2/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8435490 0.85 MAPT (0.42) ALDH1A1RAB9ATP53GPX4NPC1
SCHEMBL11706937 0.81 ALDH1A1 (0.46) ALDH1A1RAB9ATP53GPX4NPC1
SCHEMBL11785353 0.81 TP53 (0.47) ALDH1A1RAB9ATP53GPX4NPC1
SCHEMBL7027709 0.81 TP53 (0.44) ALDH1A1RAB9ATP53GPX4NPC1
SCHEMBL8438006 0.80 TP53 (0.39) ALDH1A1RAB9ATP53GPX4NPC1
SCHEMBL11676739 0.78 ALDH1A1 (0.40) ALDH1A1RAB9ATP53GPX4NPC1
SCHEMBL11326508 0.77 TP53 (0.44) ALDH1A1RAB9ATP53GPX4NPC1
SCHEMBL11706536 0.77 TP53 (0.41) ALDH1A1RAB9ATP53GPX4NPC1
SCHEMBL11670187 0.76 ALDH1A1 (0.41) ALDH1A1RAB9ATP53GPX4NPC1
SCHEMBL11786816 0.75 GPX4 (0.54) ALDH1A1RAB9ATP53GPX4NPC1

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-5883232-A DIAZAHEMICYANINE, TRIAZOLE, AZO AND HYDROPHOBIC DYES; COLORFASTNESS, COLOR REPRODUCIBILITY SONY CORPORATION (JP) 1999-03-16 US disclosed
US-5834600-A DIAZAHEMICYANINE DYES, MAGENTA, IMPROVED PHOTOSTABILITY AND REPRODUCIBILITY SONY CORPORATION (JP) 1998-11-10 US disclosed
EP-0751188-B1 Hydrophobic cationic dyes and thermal transfer ink ribbons using the same SONY CORP (JP) 1998-08-26 EP disclosed
EP-0751188-A1 Hydrophobic cationic dyes and thermal transfer ink ribbons using the same SONY CORPORATION (JP) 1997-01-02 EP disclosed