SCHEMBL24520577

SCHEMBL24520577

CCCCCOCC1COC(=O)O1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.41
CYP1A2 P05177 2/20 0.38
S1PR1 P21453 2/20 0.36
SGPL1 O95470 1/20 0.36
NOS1 P29475 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL14895171 0.98 ALDH1A1 (0.60) ALDH1A1TDP1SMN1; SMN2TSHRLMNA
SCHEMBL14894856 0.98 ALDH1A1 (0.60) ALDH1A1TDP1SMN1; SMN2TSHRLMNA
SCHEMBL8056682 0.98 ALDH1A1 (0.60) ALDH1A1TDP1SMN1; SMN2TSHRLMNA
SCHEMBL17108347 0.98 ALDH1A1 (0.60) ALDH1A1TDP1SMN1; SMN2TSHRLMNA
SCHEMBL8928155 0.95 SMN1; SMN2 (0.58) ALDH1A1TDP1SMN1; SMN2TSHRLMNA
SCHEMBL16675416 0.92 TSHR (0.52) ALDH1A1TDP1SMN1; SMN2TSHRLMNA
SCHEMBL14003900 0.90 TSHR (0.50) ALDH1A1TDP1SMN1; SMN2TSHRLMNA
SCHEMBL22193341 0.90 TSHR (0.50) ALDH1A1TDP1SMN1; SMN2TSHRLMNA
SCHEMBL7875340 0.88 SMN1; SMN2 (0.43) ALDH1A1TDP1SMN1; SMN2TSHRLMNA
SCHEMBL16663913 0.88 TSHR (0.47) ALDH1A1TDP1SMN1; SMN2TSHRLMNA

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-4015563-A1 SELF-BLOWING ISOCYANATE-FREE POLYURETHANE FOAMS Université de Liège (BE) 2022-06-22 EP disclosed