SCHEMBL811115

SCHEMBL811115

CC(=O)NCC1(C)CC(C)CC(C)(C)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
ALDH1A1 P00352 3/20 0.39
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL18786168 0.86 TSHR (0.48) TSHROPRM1OPRL1ALDH1A1ESR1
SCHEMBL13647776 0.83 TSHR (0.68) TSHROPRM1OPRL1ALDH1A1ESR1
SCHEMBL17171621 0.83 HSD17B10 (0.46) TSHROPRM1OPRL1ALDH1A1ESR1
SCHEMBL1753863 0.83 TSHR (0.56) TSHROPRM1OPRL1ALDH1A1
SCHEMBL23676957 0.83 TSHR (0.41) TSHRESR1ESR2
SCHEMBL17172386 0.82 TSHR (0.44) TSHROPRM1OPRL1ALDH1A1ESR1
SCHEMBL13098673 0.82 TSHR (0.44) TSHROPRM1OPRL1ALDH1A1ESR1
SCHEMBL10048527 0.81 TSHR (0.47) TSHROPRM1OPRL1ALDH1A1
SCHEMBL17658797 0.81 TSHR (0.54) TSHRALDH1A1
SCHEMBL10014286 0.80 TSHR (0.64) TSHROPRM1OPRL1ALDH1A1

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
US-7897688-B2 Amino group-terminal viscosifiers, resultant products and uses thereof SIKA TECHNOLOGY AG (CH) 2011-03-01 US disclosed