SCHEMBL9007658

SCHEMBL9007658

CC(C)(C)c1cc(COC(=O)CC(=O)O)ccc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.40
NR1H4 Q96RI1 2/20 0.38
EPHX2 P34913 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
CYP3A4 P08684 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9007685 0.81 FAAH (0.40) EPHX2ALDH1A1
SCHEMBL3125775 0.80 GAA (0.47) CYP3A4MAPTALDH1A1MAPK1MEN1
SCHEMBL5083341 0.75 CYP1A2 (0.42) CYP3A4MAPTALDH1A1MAPK1MEN1
SCHEMBL25311713 0.75 RXRA (0.51) ACE2NR1H4EPHX2RXRARXRB
SCHEMBL9706399 0.73 ALDH1A1 (0.45) NR1H4MAPTALDH1A1L3MBTL1POLB
SCHEMBL11709829 0.73 ACE2 (0.42) ACE2EPHX2CYP3A4MAPTALDH1A1
SCHEMBL9420233 0.71 APP (0.47) ACE2KMT2A
SCHEMBL3125768 0.71 GAA (0.50) CYP3A4MAPTALDH1A1MAPK1CA1
SCHEMBL28777953 0.71 KDM4E (0.55) MAPTALDH1A1CA1CA2POLB
SCHEMBL27968590 0.70 GAA (0.49) MAPTALDH1A1L3MBTL1MAPK1MEN1

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-0516006-B1 4,4'-Biphenylenediphosphonite compound and use thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-10-23 EP claimed