SCHEMBL9138458

SCHEMBL9138458

O=[PH](Oc1ccccc1CO)Oc1ccccc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
APOBEC3G Q9HC16 1/20 0.39
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
MAOB P27338 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
HPGD P15428 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CXCL8 P10145 2/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL9138460 0.88 EPHX1 (0.41) EPHX1APOBEC3GCYP4F2CYP4A11KDM4E
SCHEMBL31491509 0.81 L3MBTL1 (0.50) KDM4ESLC6A2SLC6A4L3MBTL1HPGD
SCHEMBL2822981 0.81 L3MBTL1 (0.50) KDM4ESLC6A2SLC6A4L3MBTL1HPGD
SCHEMBL31491508 0.76 HTR1A (0.44) SLC6A2SLC6A4L3MBTL1MAPTNPSR1
SCHEMBL15048637 0.76 ADRA2C (0.47) KDM4EALDH1A1SLC6A2SLC6A4LMNA
SCHEMBL2816242 0.76 HPGD (0.50) MAOBL3MBTL1HPGDLMNA
SCHEMBL2817836 0.76 HTR1A (0.44) SLC6A2SLC6A4L3MBTL1MAPTNPSR1
SCHEMBL5950358 0.75 SLC6A2 (0.50) EPHX1APOBEC3GCYP4F2CYP4A11KDM4E
SCHEMBL2817841 0.73 THRA (0.47)
SCHEMBL3342292 0.72 EPHX1 (0.53) EPHX1APOBEC3GCYP4F2CYP4A11KDM4E

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
US-5475129-A Phosphonoalkyl phenylalanine compounds suitably protected for use in peptide synthesis THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-12-12 US disclosed
WO-1993025561-A1 PHOSPHONOALKYL PHENYLALANINE COMPOUNDS SUITABLY PROTECTED FOR USE IN PEPTIDE SYNTHESIS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-12-23 WO disclosed