SCHEMBL6905310

SCHEMBL6905310

CC1(C)CC(OC(=O)OC2CC(C)(C)N(c3ccccc3)C(C)(C)C2)CC(C)(C)N1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
TSHR P16473 3/20 0.49
GAA P10253 3/20 0.44
HTT P42858 2/20 0.42
CYP2D6 P10635 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ESR1 P03372 1/20 0.38
MEN1 O00255 5/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL6905312 0.90 KMT2A (0.49) KMT2ATSHRGAAHTTCYP2D6
SCHEMBL28108099 0.86 TSHR (0.67) KMT2ATSHRGAAHTTLMNA
SCHEMBL28294628 0.84 KMT2A (0.44) KMT2ATSHRGAAHTTCYP2D6
SCHEMBL16702071 0.77 KMT2A (0.46) KMT2ATSHRGAAHTTCYP2D6
SCHEMBL12589187 0.75 ALDH1A1 (0.37) KMT2ATSHRALDH1A1MEN1CYP2C19
SCHEMBL9155535 0.74 TSHR (0.46) KMT2ATSHRGAAHTTCYP2D6
SCHEMBL14400354 0.74 GAA (0.51) KMT2ATSHRGAAHTTCYP2D6
SCHEMBL28155197 0.73 CTSL (0.45) KMT2ATSHRALDH1A1CYP2C19
SCHEMBL28160128 0.72 MAOB (0.39)
SCHEMBL6714702 0.71 TSHR (0.37) KMT2ATSHRGAAHTTCYP2D6

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-1057875-B1 RESIN COMPOSITIONS FOR POWDERY COATINGS NISSAN CHEMICAL IND LTD (JP) 2004-04-28 EP disclosed
US-6335389-B1 COMPOSITION INCLUDING CARBOXYL GROUP-CONTAINING RESIN HAVING SPECIFIED NUMBER AVERAGE MOLECULAR WEIGHT, ACID VALUE AND GLASS TRANSITION TEMPERATURE, POLY-BETA-METHYLGLYCIDYL COMPOUND, STERICALLY HINDERED AMINE AS YELLOWING INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-01 US disclosed
EP-1057875-A1 RESIN COMPOSITIONS FOR POWDERY COATINGS Nissan Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed