SCHEMBL11959883

SCHEMBL11959883

CC(C)(C)c1ccc(C(C)(C)N=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.46
TYR P14679 1/20 0.46
ALDH1A1 P00352 4/20 0.43
HDAC1 Q13547 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
SRD5A2 P31213 1/20 0.40
KIF11 P52732 3/20 0.39
CYP1A2 P05177 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14438153 0.92 TSHR (0.35) TSHRLMNATYRALDH1A1HDAC1
SCHEMBL24136334 0.82 TSHR (0.52) TSHRLMNAALDH1A1HDAC1CA1
SCHEMBL17875011 0.80 CYP2A6 (0.38) TSHRALDH1A1CYP1A2CA1CA2
SCHEMBL24564597 0.80 ESR1 (0.54) TSHRLMNATYRALDH1A1KIF11
SCHEMBL246162 0.79 ALDH1A1 (0.46) TSHRALDH1A1HDAC1MAPTMAPK1
SCHEMBL424728 0.76 TSHR (0.73) TSHRLMNATYRALDH1A1HDAC1
SCHEMBL1243634 0.74 SLC22A2 (0.52) TSHRLMNATYRALDH1A1HDAC1
SCHEMBL21304588 0.73 TSHR (0.42) TSHRLMNATYRALDH1A1HDAC1
SCHEMBL16510924 0.73 PDE2A (0.37) TSHRLMNAALDH1A1KIF11CYP1A2
SCHEMBL10290029 0.72 TSHR (0.44) TSHRLMNAALDH1A1RARBTP53

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-1995265-B1 POLYARYLENE AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL CO (JP) 2012-08-01 EP disclosed