SCHEMBL7002707

SCHEMBL7002707

CC(C=O)C(C)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.48
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CTSB P07858 2/20 0.40
IDO1 P14902 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL22096934 1.00 RCE1 (0.48) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL4854410 1.00 RCE1 (0.48) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL16478611 0.84 SLC1A3 (0.50) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL6239311 0.82 SLC1A3 (0.47) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL4588952 0.82 SLC1A3 (0.47) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL6172748 0.82 SLC1A3 (0.47) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL14567490 0.82 NPC1 (0.47) TSHRHTTALDH1A1IDO1
SCHEMBL21440871 0.81 RCE1 (0.48) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL8893095 0.80 SLC1A3 (0.42) RCE1SLC1A3SLC1A2SLC1A1MEN1
SCHEMBL9270402 0.80 RCE1 (0.48) RCE1SLC1A3SLC1A2SLC1A1MEN1

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-1268397-A2 METHOD FOR PREPARING (2S,3R,4S)-4-HYDROXYISOLEUCINE AND ANALOGUES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2003-01-02 EP disclosed
WO-2001072688-A2 METHOD FOR PREPARING (2S,3R,4S)-4-HYDROXYISOLEUCINE AND ANALOGUES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2001-10-04 WO disclosed