SCHEMBL11049161

SCHEMBL11049161

C=CCC(CCCC)S[C]=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5165999 0.78 TSHR (0.39) TSHRALDH1A1SMN1; SMN2
SCHEMBL757054 0.78 TSHR (0.39) TSHRALDH1A1SMN1; SMN2
SCHEMBL6836259 0.75 TSHR (0.36) TSHRALDH1A1SMN1; SMN2
SCHEMBL7075066 0.73 TSHR (0.34) TSHRALDH1A1
SCHEMBL8946847 0.71 TSHR (0.43) TSHRALDH1A1
SCHEMBL252388 0.71 TSHR (0.36) TSHRALDH1A1SMN1; SMN2
SCHEMBL539625 0.70 TSHR (0.32) TSHRALDH1A1SMN1; SMN2
SCHEMBL7040570 0.70 TSHR (0.32) TSHRALDH1A1
SCHEMBL7075538 0.70 TSHR (0.32) TSHRALDH1A1
SCHEMBL7077244 0.70 TSHR (0.32) TSHRALDH1A1

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-0149760-A2 Substituted O-acyl glycosylamides, methods for their preparation and their use BAYER AG (DE) 1985-07-31 EP disclosed