SCHEMBL4100145

SCHEMBL4100145

CC(C)(C)C(=O)ON1C(C)(C)CC(Oc2ccccc2)CC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.41
ESR1 P03372 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM2 P08172 4/20 0.39
CHRM3 P20309 4/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
USP30 Q70CQ3 1/20 0.35
ELANE P08246 1/20 0.35
ABHD6 Q9BV23 2/20 0.35
FFAR1 O14842 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RIPK1 Q13546 1/20 0.34
NAMPT P43490 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
SCHEMBL4106868 0.85 TSHR (0.67) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL4106959 0.82 KMT2A (0.71) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL1138712 0.82 TSHR (0.74) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL12532631 0.79 TSHR (0.47) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL7935169 0.78 SLC6A2 (0.45) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL1138561 0.76 TSHR (0.44) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL4325797 0.76 TSHR (0.38) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL4107541 0.75 KMT2A (0.50) TSHRKMT2AALDH1A1ESR1HSD17B10
SCHEMBL6754518 0.75 SLC6A2 (0.45) TSHRKMT2AGAASLC6A2SLC6A3
SCHEMBL562024 0.75 SLC6A2 (0.45) TSHRKMT2ACHRM2CHRM3GAA

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-9732168-B2 Method of preparing ethylene polymers by controlled high pressure polymerization BASF SE (DE) 2017-08-15 US disclosed
US-20130150542-A1 Method Of Preparing Ethylene Polymers By Controlled High Pressure Polymerization BASF SE (DE) 2013-06-13 US disclosed
US-8168725-B2 Degradation of polypropylene with hydroxylamine ester compositions BASF SE (DE) 2012-05-01 US disclosed
US-20110207892-A1 DEGRADATION OF POLYPROPYLENE WITH HYDROXYLAMINE ESTER COMPOSITIONS ROTH MICHAEL 2011-08-25 US disclosed