SCHEMBL1401032

SCHEMBL1401032

CCCCOc1cc(/C=C/C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
AKR1C3 P42330 4/20 0.51
POLB P06746 1/20 0.50
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.47
ACHE P22303 4/20 0.46
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
SNCA P37840 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL1401037 1.00 KDM4E (0.53) KDM4EAKR1C3POLBKMT2AGAA
SCHEMBL66903 0.89 FDPS (0.53) KDM4EAKR1C3GAAACHEALDH1A1
SCHEMBL66905 0.83 ALOX5 (0.35) KDM4EAKR1C3POLBKMT2AGAA
SCHEMBL66904 0.83 ALOX5 (0.35) KDM4EAKR1C3POLBKMT2AGAA
SCHEMBL7524744 0.79 KDM4E (0.75) KDM4EAKR1C3POLBKMT2AGAA
SCHEMBL7524738 0.79 KDM4E (0.75) KDM4EAKR1C3POLBKMT2AGAA
SCHEMBL25334842 0.76 P4HB (0.46) KDM4EAKR1C3POLBKMT2AGAA
SCHEMBL2638048 0.76 KDM4E (0.87) KDM4EAKR1C3POLBKMT2AGAA
SCHEMBL3408211 0.76 KDM4E (0.66) KDM4EAKR1C3POLBKMT2AGAA
SCHEMBL2638046 0.76 KDM4E (0.87) KDM4EAKR1C3POLBKMT2AGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 WO disclosed