SCHEMBL4388376

SCHEMBL4388376

C=C(CC(=O)OCC1CC2C=CC1C2)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.38
ALDH1A1 P00352 7/20 0.37
TDP1 Q9NUW8 3/20 0.37
EPHX2 P34913 2/20 0.35
PKM P14618 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL414809 0.86 EPHX2 (0.41) KDM4EALDH1A1TDP1EPHX2PKM
SCHEMBL8751808 0.81 EPHX2 (0.38) KDM4EALDH1A1TDP1EPHX2PKM
SCHEMBL18587123 0.78 KDM4E (0.41) KDM4EALDH1A1TDP1EPHX2PKM
Acetic Acid SCHEMBL28542499 0.78 KDM4E (0.40) KDM4EALDH1A1TDP1EPHX2PKM
SCHEMBL8614083 0.77 EPHX2 (0.40) KDM4EALDH1A1TDP1EPHX2PKM
SCHEMBL1087442 0.77 EPHX2 (0.40) KDM4EALDH1A1TDP1EPHX2PKM
SCHEMBL457240 0.77 KDM4E (0.41) KDM4EALDH1A1TDP1EPHX2PKM
Methacrylic Acid SCHEMBL5066175 0.77 ALDH1A1 (0.43) KDM4EALDH1A1TDP1PKMLMNA
SCHEMBL652853 0.77 KDM4E (0.43) KDM4EALDH1A1TDP1EPHX2PKM
SCHEMBL14434848 0.76 KDM4E (0.39) KDM4EALDH1A1TDP1EPHX2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629424-B2 Metal-containing compositions and method of making same PRYOG, LLC (US) 2009-12-08 US claimed
US-20080015278-A1 Metal-Containing Compositions and Method of Making Same PRYOG, LLC 2008-01-17 US claimed
US-7629424-B2 Metal-containing compositions and method of making same PRYOG, LLC (US) 2009-12-08 US disclosed
US-20080015278-A1 Metal-Containing Compositions and Method of Making Same PRYOG, LLC 2008-01-17 US disclosed
WO-2007070092-A2 METAL-CONTAINING COMPOSITIONS AND METHOD OF MAKING SAME PRYOG, LLC (US) 2007-06-21 WO disclosed