SCHEMBL11501580

SCHEMBL11501580

O=C1CCCC/C1=C\c1ccc2c(c1)OCO2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.75
ALDH1A1 P00352 11/20 0.75
KMT2A Q03164 6/20 0.75
TDP1 Q9NUW8 4/20 0.75
MEN1 O00255 4/20 0.75
LMNA P02545 3/20 0.75
MAPK1 P28482 1/20 0.75
DYRK1A Q13627 2/20 0.64
DYRK2 Q92630 2/20 0.64
DYRK1B Q9Y463 2/20 0.64
SMN1; SMN2 Q16637 5/20 0.59
RAB9A P51151 3/20 0.59
HSD17B10 Q99714 3/20 0.59
GAA P10253 2/20 0.59
NPC1 O15118 2/20 0.59
ALOX12 P18054 2/20 0.59
KDM4E B2RXH2 5/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CYP1A2 P05177 1/20 0.54

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
SCHEMBL11501581 1.00 MAPT (0.75) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL31432619 0.86 MAPT (1.00) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL9566898 0.78 DYRK1A (1.00) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL13278380 0.78 DYRK1A (0.71) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL13278382 0.78 DYRK1A (0.71) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL11501954 0.77 ALDH1A1 (0.65) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL11501952 0.77 ALDH1A1 (0.65) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL16656152 0.77 DYRK1A (0.62) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL29577825 0.77 DYRK1A (0.62) MAPTALDH1A1KMT2ATDP1MEN1
SCHEMBL10518776 0.77 MAPT (0.64) MAPTALDH1A1KMT2ATDP1MEN1

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-4177271-A ANTIDEPRESSANTS, HYPNOTICS UNICLER (FR) 1979-12-04 US disclosed