SCHEMBL6766743

SCHEMBL6766743

C=C(C)C(=O)NC(C)NC(=O)C(=C)C.C=CC(=O)NC(C)NC(=O)C=C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
TGFBR1 P36897 1/20 0.40
ALDH1A1 P00352 2/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACACB O00763 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
SCHEMBL2487819 0.85 TGFBR1 (0.50) TSHRTGFBR1ALDH1A1RXFP1TDP1
SCHEMBL636063 0.85 TSHR (0.71) TSHRALDH1A1CYP2C19MAPK1TDP1
SCHEMBL6015992 0.84 TSHR (0.72) TSHRTGFBR1ALDH1A1CYP2C19RXFP1
SCHEMBL7996057 0.81 TSHR (0.40) TSHRTGFBR1
SCHEMBL28281570 0.80 TSHR (0.48) TSHRTGFBR1ALDH1A1CYP2C19RXFP1
SCHEMBL28518754 0.79 TSHR (0.62) TSHRALDH1A1CYP2C19MAPK1TDP1
SCHEMBL7632867 0.78 TSHR (0.37) TSHRTGFBR1
SCHEMBL7133791 0.77 TSHR (0.67) TSHRTGFBR1ALDH1A1CYP2C19RXFP1
SCHEMBL3901758 0.76 TSHR (0.65) TSHRALDH1A1CYP2C19MAPK1TDP1
SCHEMBL24150307 0.75 TSHR (0.48) TSHRALDH1A1MAPK1TDP1

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-6726905-B1 LOWERING SERUM PHOSPHATE GENZYME CORPORATION 2004-04-27 US disclosed