SCHEMBL10054542

SCHEMBL10054542

CC1(C)CCCC(C)(CNC(N)=O)C1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL29703000 0.83 PKM (0.31) ALDH1A1SMN1; SMN2
SCHEMBL14699658 0.82
SCHEMBL16870518 0.81 HSD17B10 (0.41) TSHROPRM1OPRL1TDP1
SCHEMBL18473731 0.78 TSHR (0.42) TSHRALDH1A1SMN1; SMN2
SCHEMBL7545353 0.76 PKM (0.30)
SCHEMBL5613252 0.75
SCHEMBL8918108 0.72 SLC6A4 (0.30)
SCHEMBL13038533 0.72 TSHR (0.47) TSHRALDH1A1TDP1
SCHEMBL30173494 0.72 ALDH1A1 (0.36) TSHRALDH1A1SMN1; SMN2
SCHEMBL14612041 0.70 TSHR (0.39) TSHR

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-1569984-B1 SILOXANE POLYMERS WITH QUADRUPLE HYDROGEN BONDING UNITS SUPRAPOLIX BV (NL) 2012-01-11 EP disclosed