SCHEMBL21165746

SCHEMBL21165746

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL18940693 0.88 TSHR (0.52) TSHRTDP1
SCHEMBL20457818 0.87 TSHR (0.51) TSHRTDP1
SCHEMBL10014286 0.83 TSHR (0.64) TSHROPRM1OPRL1ALDH1A1TDP1
SCHEMBL23019939 0.83 TSHR (0.56) TSHROPRM1OPRL1ALDH1A1TDP1
SCHEMBL8750929 0.81 TSHR (0.43) TSHR
SCHEMBL10203832 0.81 TSHR (0.61) TSHROPRM1OPRL1ALDH1A1TDP1
SCHEMBL20836785 0.80 TSHR (0.51) TSHRTDP1
SCHEMBL16575141 0.79 TSHR (0.53) TSHRALDH1A1
SCHEMBL12745269 0.78 TSHR (0.58) TSHROPRM1OPRL1ALDH1A1TDP1
SCHEMBL14379799 0.78 TSHR (0.58) TSHROPRM1OPRL1ALDH1A1TDP1

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-3511354-A1 AQUEOUS DISPERSION, METHOD FOR PRODUCING SAME, AND IMAGE FORMING METHOD FUJIFILM Corporation (JP) 2019-07-17 EP disclosed