SCHEMBL7741777

SCHEMBL7741777

CCOC(O)(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.50
CES1 P23141 5/20 0.46
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CES2 O00748 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 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
SCHEMBL34466536 0.85 SRC (0.50) SRCCES1LMNAPOLBNPSR1
SCHEMBL11371306 0.82 CES1 (0.47) SRCCES1LMNAPOLBNPSR1
SCHEMBL11251806 0.81 CES1 (0.46) SRCCES1LMNAPOLBNPSR1
SCHEMBL9004611 0.81 CES1 (0.46) SRCCES1LMNACES2ALDH1A1
SCHEMBL251616 0.80 CES1 (0.50) SRCCES1LMNAPOLBNPSR1
SCHEMBL10446200 0.79 CES1 (0.53) SRCCES1LMNAPOLBNPSR1
SCHEMBL34466866 0.79 CES1 (0.44) SRCCES1LMNAPOLBNPSR1
SCHEMBL27768512 0.79 CES1 (0.44) SRCCES1LMNAPOLBNPSR1
SCHEMBL9005043 0.79 CES1 (0.44) SRCCES1LMNAPOLBNPSR1
SCHEMBL36702 0.78 CES1 (0.66) SRCCES1LMNAPOLBNPSR1

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
US-H2043-H1 CONTAINING RETINOIDS THE PROCTER & GAMBLE COMPANY 2002-08-06 US disclosed