SCHEMBL7800974

SCHEMBL7800974

CC(C)(C)C(=O)NCCCCCC(=O)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.45
EPHX1 P07099 2/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADRA1A P35348 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
PRMT1 Q99873 1/20 0.39
NAAA Q02083 1/20 0.39
DRD2 P14416 5/20 0.39
DRD4 P21917 5/20 0.39
MAPT P10636 1/20 0.38
CASP2 P42575 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37

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
SCHEMBL10216641 0.87 EPHX1 (0.46) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL10633351 0.85 MEN1 (0.58) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL18622113 0.83 POLB (0.57) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL15981919 0.82 ADRA1A (0.62) MEN1KMT2APOLBADRA1AMAPK1
SCHEMBL25868825 0.82 MEN1 (0.47) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL10172327 0.82 MEN1 (0.47) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL11922844 0.82 TDP1 (0.58) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL20006407 0.81 ALDH1A1 (0.47) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL5145403 0.81 MEN1 (0.45) MEN1KMT2APOLBEPHX1ALDH1A1
SCHEMBL31457188 0.80 ADRA1A (0.59) POLBALDH1A1SMN1; SMN2ADRA1AMAPK1

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-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP disclosed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed