SCHEMBL11153992

SCHEMBL11153992

CCOC(=O)C(C)CP(=O)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
PPARD Q03181 1/20 0.42
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 3/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL816670 0.90 TSHR (0.41) TSHRPPARDMAPTMAPK1ALDH1A1
SCHEMBL10876807 0.85 PPARD (0.46) TSHRPPARDMAPTMAPK1ALDH1A1
SCHEMBL12410134 0.82 TSHR (0.38) TSHRPPARDMAPTMAPK1CYP3A4
SCHEMBL816257 0.82 TSHR (0.44) TSHRPPARDMAPTMAPK1ALDH1A1
SCHEMBL7055979 0.82 MAPT (0.47) TSHRPPARDMAPTMAPK1ALDH1A1
SCHEMBL16044841 0.81 TSHR (0.35) TSHRPPARDALDH1A1CYP3A4CYP2C19
SCHEMBL10879374 0.80 ALDH1A1 (0.41) TSHRPPARDMAPTMAPK1ALDH1A1
SCHEMBL10877831 0.80 TSHR (0.43) TSHRPPARDMAPTMAPK1CYP3A4
SCHEMBL7619464 0.80 TSHR (0.43) TSHRPPARDMAPTMAPK1CYP3A4
SCHEMBL31516116 0.79 CYP2C19 (0.40) TSHRALDH1A1CYP3A4CYP2C19GAA

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
EP-0091525-A2 Phosphonoalkanoylamino acids ANALYTICAL RESEARCH PHARMACEUTICALS PTY. LTD. (AU) 1983-10-19 EP disclosed
EP-0070131-A1 Phosphonoalkanoylamino acids ANALYTICAL RESEARCH PHARMACEUTICALS PTY. LTD. (AU) 1983-01-19 EP disclosed