SCHEMBL6829985

SCHEMBL6829985

CCOCC(O)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.32
PRKCA P17252 2/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL28180557 0.79 THRB (0.48) TSHRALDH1A1THRB
SCHEMBL16587942 0.79 PRKCA (0.43) TSHRALDH1A1LMNAHSD17B10TDP1
Ether SCHEMBL3377962 0.78 TSHR (0.39) TSHRALDH1A1LMNAHSD17B10TDP1
Isopropyl Alcohol SCHEMBL28434694 0.78 TSHR (0.45) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL60590 0.77 TSHR (0.48) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL11388529 0.76 TDP1 (0.54) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL14700403 0.76
SCHEMBL8719451 0.76 TSHR (0.40) TSHRALDH1A1LMNAHSD17B10TDP1
Methyl Alcohol SCHEMBL3842813 0.76 TSHR (0.47) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL605701 0.76 PRKCA (0.41) TSHRALDH1A1LMNAHSD17B10TDP1

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-6746524-B1 FORMING LIGHTFAST, WEATHERABLE, STRONG, ERASEABLE VIVID COLORING MATERIAL; TREATING WITH SOLUTION CONTAINING ORGANIC PIGMENT AND HEATING MITSUBISHI PENCIL KABUSHIKI KAISHA (JP) 2004-06-08 US disclosed