SCHEMBL8735356

SCHEMBL8735356

O=C(OCc1ccccc1)[C@H](O)CC1=CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.43
ALDH1A1 P00352 7/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX1 P07099 1/20 0.40
LTA4H P09960 1/20 0.40
LAP3 P28838 1/20 0.40
MEN1 O00255 1/20 0.39
CTRB1 P17538 2/20 0.38
LMNA P02545 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL7046944 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2
SCHEMBL4219709 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2
SCHEMBL262278 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1KMT2AMAPK1SLC6A2
SCHEMBL14621091 0.78 CYP1A2 (0.40) ALOX15CYP2C9ALDH1A1HPGDMAPT
SCHEMBL7954116 0.75 ALDH1A1 (0.38) ALDH1A1HPGDL3MBTL1MAPTKMT2A
SCHEMBL7954123 0.75 ALDH1A1 (0.38) ALDH1A1HPGDL3MBTL1MAPTKMT2A
SCHEMBL472159 0.74 ALDH1A1 (0.58) ALDH1A1HPGDL3MBTL1MAPTKMT2A
SCHEMBL19266744 0.74 KDM4E (0.41) ALOX15CYP2C9ALDH1A1HPGDMAPT
SCHEMBL14621112 0.74 KDM4E (0.41) ALOX15CYP2C9ALDH1A1HPGDMAPT
SCHEMBL19088598 0.73 LMNA (0.56) CYP2C19ALDH1A1L3MBTL1KMT2AMAPK1

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-0816341-A1 Process for the preparation of chiral succinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 EP disclosed