SCHEMBL20034026

SCHEMBL20034026

CN(C)c1ccc(C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TSHR P16473 5/20 0.46
ALOX15 P16050 3/20 0.46
HSD17B10 Q99714 1/20 0.46
TERT O14746 1/20 0.41
APP P05067 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC2A1 P11166 1/20 0.38
CYP3A4 P08684 3/20 0.37
MAPK1 P28482 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
HBB P68871 1/20 0.37
KDM4E B2RXH2 1/20 0.36
AR P10275 2/20 0.35
MAPT P10636 1/20 0.34
CRHR1 P34998 1/20 0.34

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
SCHEMBL26020164 0.87 AR (0.45) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL26223335 0.84 ALDH1A1 (0.43) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL26223336 0.84 ALDH1A1 (0.43) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL29416602 0.82 NR1H4 (0.38) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL19121975 0.82 ALDH1A1 (0.42) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL10176725 0.82 MAPT (0.44) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL13528294 0.80 ALDH1A1 (0.40) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL12666676 0.80 ALDH1A1 (0.43) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL13216543 0.80 NR1H4 (0.48) ALDH1A1TSHRALOX15HSD17B10TERT
SCHEMBL13528295 0.80 ALDH1A1 (0.40) ALDH1A1TSHRALOX15HSD17B10TERT

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
CN-108659054-A A kind of preparation method of dichloro di-t-butyl -4- dimethylaminophenyl phosphine palladiums 陕西瑞科新材料股份有限公司 2018-10-16 CN disclosed
US-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 US disclosed
CN-105237568-B The preparation method of the dimethylamino phenyl phosphine of di-t-butyl 4 and double (the dimethylamino phenyl phosphine of di-t-butyl 4) palladium bichlorides 盘锦格林凯默科技有限公司 2017-06-20 CN disclosed