SCHEMBL9565660

SCHEMBL9565660

C=CC(C[O])(CCOCC1CO1)OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL8830716 0.77 TSHR (0.45) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL13864091 0.76 TSHR (0.49) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL13864102 0.71 TSHR (0.50) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL4802643 0.70 TSHR (0.49) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
Acetic Acid SCHEMBL27674601 0.68 TSHR (0.58) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL13864105 0.67 TSHR (0.58) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL17123533 0.67 TSHR (0.52) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
Acrylic Acid SCHEMBL3673686 0.67 TSHR (0.52) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
Acrylic Acid SCHEMBL21647282 0.67 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1
SCHEMBL13864092 0.66 TSHR (0.43) ALDH1A1TSHRSMN1; SMN2TDP1MAPK1

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-0556023-A1 Organopolysiloxane compositions GENERAL ELECTRIC COMPANY (US) 1993-08-18 EP disclosed