SCHEMBL5167337

SCHEMBL5167337

CC(C)(C)c1cc(O)ccc1C(N(C(c1ccc(O)cc1C(C)(C)C)C(C)(C)C)C(c1ccc(O)cc1C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TYR P14679 4/20 0.50
LMNA P02545 3/20 0.50
ALOX15 P16050 2/20 0.50
NR1I2 O75469 1/20 0.50
CYP2C9 P11712 1/20 0.50
MIF P14174 1/20 0.50
HTT P42858 1/20 0.50
NFE2L2 Q16236 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
ATP2A2 P16615 1/20 0.34
ATP2A3 Q93084 1/20 0.34
CA2 P00918 3/20 0.32
CA1 P00915 1/20 0.32
ESR1 P03372 2/20 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
SCHEMBL28181758 0.88 ALDH1A1 (0.48) ALDH1A1TYRLMNAALOX15NR1I2
SCHEMBL1615540 0.78 ALDH1A1 (0.53) ALDH1A1TYRLMNAALOX15NR1I2
SCHEMBL5377400 0.77 ALDH1A1 (0.57) ALDH1A1TYRLMNAALOX15NR1I2
SCHEMBL7681246 0.75 ALDH1A1 (0.50) ALDH1A1TYRLMNAALOX15NR1I2
SCHEMBL74988 0.73 CYP2C9 (0.52) ALDH1A1TYRLMNAALOX15NR1I2
SCHEMBL29378822 0.73 CYP2C9 (0.52) ALDH1A1TYRLMNAALOX15NR1I2
SCHEMBL1815050 0.72 ALDH1A1 (0.47) ALDH1A1TYRLMNAALOX15NR1I2
SCHEMBL6407103 0.72 ALDH1A1 (0.47) ALDH1A1TYRLMNAALOX15NR1I2
SCHEMBL2021753 0.72 ALDH1A1 (0.47) ALDH1A1TYRLMNAALOX15NR1I2
SCHEMBL2799339 0.71 TYR (0.46) ALDH1A1TYRLMNAALOX15NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1774071-A1 WETTABLE POLYESTER FIBERS AND FABRICS Ciba SC Holding AG (CH) 2007-04-18 EP disclosed
WO-2006008256-A1 WETTABLE POLYESTER FIBERS AND FABRICS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-01-26 WO disclosed