SCHEMBL8734909

SCHEMBL8734909

CCC(COC(=O)C=Cc1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
AKR1B10 O60218 3/20 0.49
AKR1B1 P15121 3/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CA12 O43570 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
RAB9A P51151 2/20 0.43
APP P05067 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL17355359 0.79 LMNA (0.55) LMNAAKR1B10AKR1B1KMT2AMEN1
SCHEMBL13721282 0.78 LMNA (0.61) LMNAAKR1B10AKR1B1KMT2AMEN1
SCHEMBL2222746 0.78 LMNA (0.61) LMNAAKR1B10AKR1B1KMT2AMEN1
SCHEMBL11804343 0.78 LMNA (0.54) LMNAAKR1B10AKR1B1KMT2AMEN1
SCHEMBL15633275 0.78 LMNA (0.54) LMNAAKR1B10AKR1B1KMT2AMEN1
SCHEMBL32687952 0.78 LMNA (0.65) LMNAAKR1B10AKR1B1KMT2AMEN1
SCHEMBL17355364 0.78 LMNA (0.65) LMNAAKR1B10AKR1B1KMT2AMEN1
SCHEMBL11146534 0.76 LMNA (0.63) LMNAAKR1B10AKR1B1KMT2AMEN1
SCHEMBL11146531 0.76 LMNA (0.63) LMNAAKR1B10AKR1B1KMT2AMEN1
Ethyl Cinnamate SCHEMBL112446 0.76 CA12 (0.72) LMNAAKR1B10AKR1B1KMT2AMEN1

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
WO-1998040078-A1 THERAPEUTIC AUGMENTATION OF OXYALKYLENE DIESTERS AND BUTYRIC ACID DERIVATIVES BEACON LABORATORIES, INC. (US) 1998-09-17 WO claimed