SCHEMBL10620402

SCHEMBL10620402

C=C(C)C(=O)OC(C)O.C=C(C)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
THRB P10828 1/20 0.48
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 8/20 0.41
GLO1 Q04760 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP1 P29466 1/20 0.36
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.33

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
Ethyl Acetate SCHEMBL28008204 0.91 ALDH1A1 (0.52) TSHRTHRBMGAMGAASI
Isopropyl Alcohol SCHEMBL11332211 0.88 TSHR (0.59) TSHRTHRBMGAMGAASI
Urethane SCHEMBL4858633 0.87 ALOX15 (0.52) TSHRTHRBMGAMGAASI
Ether SCHEMBL28937460 0.86 THRB (0.50) TSHRTHRBMGAMGAASI
SCHEMBL11295643 0.86 TSHR (0.53) TSHRTHRBMGAMGAASI
Alcohol SCHEMBL27759500 0.86 TSHR (0.47) TSHRTHRBMGAMGAASI
SCHEMBL10762910 0.85
SCHEMBL27553112 0.85 TSHR (0.48) TSHRTHRBALDH1A1HSD17B10
SCHEMBL20364 0.85
SCHEMBL11125870 0.85

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-4770665-A IN SITU FORMATION OF TISSUE BONDED ACRYLIC POLYMER AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1988-09-13 US disclosed