SCHEMBL2879775

SCHEMBL2879775

CC(C)(N)c1cc(C(C)(C)N)c(O)c(C(C)(C)N)c1.CC(C)(N)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 2/20 0.48
CA2 P00918 4/20 0.41
PTGS2 P35354 5/20 0.35
ALOX5 P09917 4/20 0.35
PTGS1 P23219 4/20 0.35
ALOX15 P16050 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP2C9 P11712 2/20 0.33
TYR P14679 2/20 0.33
LMNA P02545 2/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NR1I2 O75469 1/20 0.33
MIF P14174 1/20 0.33
HTT P42858 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CYP3A4 P08684 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
SCHEMBL49240 0.84 CA2 (0.42) ALDH1A1TDP1TSHRCA2PTGS2
SCHEMBL30626639 0.84 ALDH1A1 (0.65) ALDH1A1TDP1TSHRCA2ALOX15
SCHEMBL141506 0.84 ALDH1A1 (0.65) ALDH1A1TDP1TSHRCA2ALOX15
SCHEMBL6833268 0.81 ALDH1A1 (0.60) ALDH1A1TDP1TSHRCA2ALOX15
SCHEMBL8772408 0.79 ALOX15 (0.43) ALDH1A1TDP1TSHRCA2ALOX15
SCHEMBL1698927 0.75 ALDH1A1 (0.45) ALDH1A1TDP1TSHRALOX15HSD17B10
SCHEMBL11036911 0.75 CYP1A2 (0.47) ALDH1A1TDP1TSHRCA2PTGS2
SCHEMBL185063 0.74 CA2 (0.58) ALDH1A1TDP1TSHRCA2PTGS2
Monoethanolamine SCHEMBL11317594 0.74 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCA2ALOX15
Tromethamine SCHEMBL6571798 0.74 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCA2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226347-A1 EPOXY RESIN CURING AGENT, METHOD FOR PRODUCING THE SAME, AND EPOXY RESIN COMPOSITION Showa Denko K.K. (JP) 2010-09-08 EP disclosed