SCHEMBL3696336

SCHEMBL3696336

[Ti]Oc1ccc2ccccc2c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
WDR5 P61964 1/20 0.40
HPRT1 P00492 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NISCH Q9Y2I1 1/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 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
SCHEMBL28365601 0.84 MAPT (0.53) MAPTALOX5ALDH1A1HSD17B10CYP2A6
SCHEMBL619380 0.81 MAPT (0.78) MAPTALOX5ALDH1A1MEN1KMT2A
SCHEMBL30719041 0.81 MAPT (0.78) MAPTALOX5ALDH1A1MEN1KMT2A
SCHEMBL7954034 0.79 MAPT (0.48) MAPTALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL28480400 0.79 MAPT (0.53) MAPTALOX5ALDH1A1HSD17B10CYP2A6
SCHEMBL30719117 0.77 MAPT (0.55) MAPTALOX5ALDH1A1HSD17B10CYP2A6
SCHEMBL30933981 0.77 MAPT (0.46) MAPTALOX5ALDH1A1HSD17B10CYP2A6
SCHEMBL10529318 0.77 WDR5 (0.49) MAPTALOX5ALDH1A1TDP1WDR5
SCHEMBL16891251 0.75 MAPT (0.49) MAPTALOX5ALDH1A1HSD17B10CYP2A6
SCHEMBL30719008 0.75 NPC1 (0.59) MAPTALOX5ALDH1A1TDP1MEN1

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
US-20100120981-A1 ETHYLENE COPOLYMER AND A METHOD OF PREPARING THE SAME SABIC SK NEXLENE COMPANY PTE. LTD. (SG) 2010-05-13 US disclosed