SCHEMBL7598235

SCHEMBL7598235

CC(C)(C)C1CCC(OO)(OOC(=O)c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.39
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRNA7 P36544 3/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
ATM Q13315 2/20 0.37
CES2 O00748 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MEN1 O00255 2/20 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
SCHEMBL3475343 0.77 ALDH1A1 (0.33) ALDH1A1LMNAMAPTGAA
SCHEMBL7630715 0.72 TDP1 (0.49) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL7592041 0.71 ALDH1A1 (0.42) ALDH1A1LMNAAPOBEC3AAPOBEC3GGAA
SCHEMBL2486985 0.71 ALDH1A1 (0.33) TDP1ALDH1A1LMNAMAPTGAA
SCHEMBL10342882 0.70 F2 (0.55) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL12482726 0.70 ALDH1A1 (0.53) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL7595344 0.70
SCHEMBL14263504 0.70 MAPT (0.73) TDP1TSHRLMNAMAPTGLA
SCHEMBL4615171 0.69 LMNA (0.57) TDP1ALDH1A1TSHRHSD17B10F2
SCHEMBL7592187 0.66 ALDH1A1 (0.31) ALDH1A1MAPTMEN1KMT2AGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8182785-B2 Methods and compositions for generating singlet oxygen NUTECH VENTURES (US) 2012-05-22 US disclosed
US-20100040530-A1 Methods and Compositions for Generating Singlet Oxygen NUTECH VENTURES 2010-02-18 US disclosed