SCHEMBL1950265

SCHEMBL1950265

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
MTNR1A P48039 6/20 0.33
MTNR1B P49286 6/20 0.33
ALDH1A1 P00352 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ACACB O00763 2/20 0.30

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
SCHEMBL12785388 0.74 MTNR1A (0.38) MTNR1AMTNR1BALDH1A1ACACB
SCHEMBL20051415 0.74 MEN1 (0.41) MTNR1AMTNR1BALDH1A1RXFP1ACACB
SCHEMBL9556523 0.73 TGFBR1 (0.36) TGFBR1RXFP1
SCHEMBL9500975 0.72 TGFBR1 (0.47) TGFBR1ALDH1A1RXFP1
Hydrochloric Acid SCHEMBL6045018 0.72 MTNR1A (0.37) MTNR1AMTNR1BALDH1A1ACACB
SCHEMBL20100301 0.71 TGFBR1 (0.33) TGFBR1RXFP1
SCHEMBL1668685 0.71 ALDH1A1 (0.50) MTNR1AMTNR1BALDH1A1ACACB
SCHEMBL8176334 0.70 GRIK1 (0.47) TGFBR1
SCHEMBL2930591 0.69 RXFP1 (0.38) TGFBR1ALDH1A1RXFP1
SCHEMBL194027 0.69 TGFBR1 (0.38) TGFBR1ALDH1A1RXFP1

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-20110135903-A1 THERMOPLASTIC RESIN, ORGANIC-INORGANIC HYBRID COMPOSITION AND OPTICAL PARTS FUJIFILM CORPORATION (JP) 2011-06-09 US disclosed