SCHEMBL7704110

SCHEMBL7704110

CCOC(CC(OCC)OC(C)=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
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
TDP1 Q9NUW8 1/20 0.32
THRB P10828 1/20 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
SCHEMBL7709890 0.98 ALDH1A1 (0.40) TSHRALDH1A1LMNAHSD17B10CHRM2
SCHEMBL8588622 0.87 TSHR (0.41) TSHRALDH1A1LMNAHSD17B10CHRM2
SCHEMBL202380 0.84 ALDH1A1 (0.40) TSHRALDH1A1LMNAHSD17B10CHRM2
SCHEMBL11101510 0.82 TSHR (0.39) TSHRALDH1A1LMNAHSD17B10CHRM2
SCHEMBL10352883 0.82 TSHR (0.39) TSHRALDH1A1LMNAHSD17B10CHRM2
SCHEMBL10430851 0.80 TSHR (0.37) TSHRALDH1A1LMNAHSD17B10CHRM2
SCHEMBL8286852 0.80 TSHR (0.37) TSHRALDH1A1LMNAHSD17B10CHRM2
SCHEMBL16305399 0.80 TSHR (0.37) TSHRALDH1A1LMNAHSD17B10CHRM2
SCHEMBL3030080 0.80 TSHR (0.37) TSHRALDH1A1LMNAHSD17B10CHRM2
SCHEMBL861924 0.78 ALDH1A1 (0.36) TSHRALDH1A1LMNAHSD17B10CHRM2

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-6355844-B1 CATALYTIC REACTION OF VINYL ESTER WITH ORTHO ESTER TO FORM DERIVATIVE CREANOVA, INC. 2002-03-12 US disclosed