SCHEMBL10033451

SCHEMBL10033451

COC(=O)CCc1nc2ccc(C)cc2o1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
KDM4E B2RXH2 2/20 0.66
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.48
MAPK10 P53779 1/20 0.48
TP53 P04637 4/20 0.47
AGPAT2 O15120 1/20 0.44
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL22077654 0.86 MAPT (0.47) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL9757152 0.86 MAPT (0.60) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL22077658 0.85 MAPT (0.52) MAPTKDM4ERAB9ANPC1ALDH1A1
SCHEMBL24330809 0.85 MAPT (0.71) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL10474999 0.82 RAB9A (0.60) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL22077663 0.80 PDE3B (0.51) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL11191233 0.79 MAPT (0.66) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL14925499 0.77 MAPT (0.49) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL23916237 0.77 ALDH1A1 (0.49) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5535594 0.76 MAPT (0.83) MAPTKDM4ERAB9ANPC1SMN1; SMN2

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
WO-2012002501-A1 LIQUID CRYSTAL ALIGNMENT TREATMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH THE LIQUID CRYSTAL ALIGNMENT FILM 日産化学工業株式会社 (JP) 2012-01-05 WO disclosed