SCHEMBL6473243

SCHEMBL6473243

O=C(CCC1CCCCC1)N[C@@H](CCc1ccccc1)C(O)c1nc(C(=O)O)co1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 3/20 0.41
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 4/20 0.38
EPHX2 P34913 1/20 0.38
HPGD P15428 3/20 0.37
TBXA2R P21731 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CES1 P23141 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C19 P33261 1/20 0.37
F2R P25116 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL7042158 0.91 DAGLA (0.42) BMP1KMT2AMEN1RAB9AALDH1A1
SCHEMBL6462673 0.83 MEN1 (0.42) KMT2AMEN1RAB9AALDH1A1EPHX2
SCHEMBL6473321 0.82 MEN1 (0.40) BMP1KMT2AMEN1RAB9AALDH1A1
SCHEMBL6463649 0.82 MEN1 (0.40) BMP1KMT2AMEN1RAB9AALDH1A1
SCHEMBL6466336 0.81 MEN1 (0.40) BMP1KMT2AMEN1RAB9AALDH1A1
SCHEMBL6462775 0.81 CES1 (0.47) BMP1KMT2AMEN1RAB9AALDH1A1
SCHEMBL6465251 0.79 LMNA (0.40) BMP1KMT2AMEN1RAB9ACTSL
SCHEMBL7047954 0.79 F11 (0.47) BMP1KMT2AMEN1RAB9AALDH1A1
SCHEMBL6061916 0.79 DAGLA (0.42) BMP1KMT2AMEN1RAB9AALDH1A1
SCHEMBL6473247 0.79 BMP1 (0.42) BMP1KMT2AMEN1RAB9AALDH1A1

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed