SCHEMBL973335

SCHEMBL973335

C=CC(=O)NC(C)N1CCN(C(C)NC(=O)C=C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.34
TGM2 P21980 2/20 0.32
TEAD1 P28347 1/20 0.32
ACACB O00763 2/20 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
SCHEMBL9397107 0.80 TSHR (0.47) TSHRCYP2C19TGM2
SCHEMBL3107212 0.80 TSHR (0.43) TSHRCYP2C19TGM2
SCHEMBL19146552 0.78 TSHR (0.44) TSHRTGM2ACACB
SCHEMBL20081800 0.71 TSHR (0.48) TSHRCYP2C19TEAD1ACACB
SCHEMBL1070614 0.70 TSHR (0.47) TSHR
SCHEMBL730166 0.70 TSHR (0.47) TSHRCYP2C19TGM2TEAD1
SCHEMBL636063 0.67 TSHR (0.71) TSHRCYP2C19TGM2ACACB
SCHEMBL22847916 0.67 TSHR (0.47) TSHRTEAD1
SCHEMBL26479936 0.67 TSHR (0.71) TSHRCYP2C19TGM2ACACB
SCHEMBL27799665 0.67 TSHR (1.00) TSHRCYP2C19TGM2ACACB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399530-B2 Polymer foams BASF SE (DE) 2013-03-19 US disclosed
US-20110015288-A1 POLYMER FOAMS BASF SE (DE) 2011-01-20 US disclosed