SCHEMBL566592

SCHEMBL566592

C=C(C)C(=O)NCC(C)CP=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.34
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL29518826 0.79 TGFBR1 (0.46) TGFBR1RXFP1MEN1KMT2A
SCHEMBL799428 0.79 TGFBR1 (0.37) TGFBR1RXFP1MEN1KMT2A
SCHEMBL17187716 0.77 CYP2D6 (0.45) TGFBR1RXFP1MEN1KMT2A
SCHEMBL366427 0.76 CYP2D6 (0.52) TGFBR1RXFP1MEN1KMT2A
SCHEMBL10750333 0.76 ANPEP (0.36) TGFBR1RXFP1MEN1KMT2A
SCHEMBL491544 0.76 TGFBR1 (0.35) TGFBR1RXFP1MEN1KMT2A
SCHEMBL442805 0.76 HRH4 (0.37) TGFBR1RXFP1MEN1KMT2A
SCHEMBL3734949 0.74 GAA (0.44) TGFBR1RXFP1MEN1KMT2A
SCHEMBL16097 0.74 TGFBR1 (0.39) TGFBR1RXFP1MEN1KMT2A
SCHEMBL9289423 0.74 TGFBR1 (0.39) TGFBR1RXFP1MEN1KMT2A

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
EP-2418013-A1 CHARGE-MOSAIC MEMBRANE Yamaguchi University (JP) 2012-02-15 EP disclosed
US-20120034481-A1 CHARGE-MOSAIC MEMBRANE KURARAY CO., LTD. (JP) 2012-02-09 US disclosed