SCHEMBL7697129

SCHEMBL7697129

CCOCC(C)C(=O)OCC.COC(=O)C(C)COC(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10272288 0.86 TSHR (0.42) TSHRGAAMGAMSIMGAM2
SCHEMBL444073 0.86 TSHR (0.42) TSHRGAAMGAMSIMGAM2
SCHEMBL443632 0.86 ALDH1A1 (0.40) GAAMGAMSIMGAM2CYP3A4
SCHEMBL445988 0.84 SMN1; SMN2 (0.39) TSHRALDH1A1
SCHEMBL10272235 0.84 SMN1; SMN2 (0.39) TSHRALDH1A1
SCHEMBL445591 0.84 ALDH1A1 (0.42) TSHRGAAMGAMSIMGAM2
SCHEMBL8930253 0.79 CYP3A4 (0.35) TSHRGAAMGAMSIMGAM2
SCHEMBL7695271 0.77 MAPT (0.44) TSHRCYP3A4CYP2C19ALDH1A1
SCHEMBL15910174 0.75 SMN1; SMN2 (0.42) TSHRALDH1A1
Dimethylformamide SCHEMBL7693416 0.75 TSHR (0.36) TSHRALDH1A1

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
EP-0629671-B1 Solvent composition MITSUBISHI RAYON CO (JP) 2002-03-27 EP disclosed