SCHEMBL21670993

SCHEMBL21670993

OC(OCC1CO1)C1CCCCC1C(O)OCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL24938789 1.00 TP53 (0.43) TP53CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL18534290 0.81 TP53 (0.67) TP53CYP3A4ALDH1A1
SCHEMBL23482911 0.81 TP53 (0.67) TP53CYP3A4ALDH1A1
SCHEMBL3645580 0.77 TSHR (0.38) TP53CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL25210172 0.73 TSHR (0.42) TP53CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL25236886 0.70 TSHR (0.39) TP53CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL1261540 0.70
SCHEMBL19155242 0.70
SCHEMBL7772654 0.69 TP53 (0.44) TP53CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL730829 0.68 TSHR (0.54) TP53CYP3A4TSHRSMN1; SMN2ALDH1A1

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-3080170-B1 INSERTION POLYNORBORNENE-BASED THERMOSET RESINS TRANSFERT PLUS SEC (CA) 2020-02-05 EP disclosed