SCHEMBL9800446

SCHEMBL9800446

CC1(C)OCCN1C(=O)OC(O)CC1CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 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
SCHEMBL8915143 0.76
SCHEMBL13273026 0.75 CYP3A4 (0.33) SMN1; SMN2HPGD
SCHEMBL2224518 0.66 USP2 (0.47) CTSKSMN1; SMN2HPGD
SCHEMBL9852425 0.66 SMN1; SMN2 (0.38) SMN1; SMN2HPGD
SCHEMBL2634417 0.64 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL5185418 0.62 ALDH1A1 (0.36) SMN1; SMN2POLB
SCHEMBL12144120 0.59 HRH3 (0.38)
SCHEMBL1336951 0.57 TSHR (0.39) CTSKSMN1; SMN2
SCHEMBL31678956 0.55 ANPEP (0.36) CTSK
SCHEMBL1721269 0.55 FAAH (0.45)

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-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed