SCHEMBL2506944

SCHEMBL2506944

C=C(C)C(=O)OCc1ccc(C(=O)O)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 11/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
POLB P06746 2/20 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
SCHEMBL774884 0.82 POLB (0.38) ALDH1A1TDP1MEN1CYP3A4TSHR
SCHEMBL254038 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1MEN1CYP3A4
SCHEMBL2631698 0.78 P4HTM (0.61) P4HTMKDM4EALDH1A1L3MBTL1TDP1
SCHEMBL965821 0.76 POLB (0.57) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL1421636 0.75 KDM4E (0.59) P4HTMKDM4EALDH1A1L3MBTL1TDP1
SCHEMBL24019226 0.74 ALDH1A1 (0.46) ALDH1A1TDP1MEN1MAPTTSHR
SCHEMBL17791311 0.74 ALDH1A1 (0.46) KDM4EALDH1A1TDP1MEN1CYP3A4
SCHEMBL92326 0.74 MEN1 (0.53) KDM4EALDH1A1TDP1MEN1LMNA
SCHEMBL16125663 0.74 ALDH1A1 (0.46) ALDH1A1TDP1MEN1MAPTTSHR
SCHEMBL13234425 0.74 ALDH1A1 (0.66) ALDH1A1L3MBTL1TDP1LMNACYP3A4

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-2154165-B1 A phosphorescent compound, a phosphorescent composition and an organic light-emitting device JAPAN BROADCASTING CORP (JP) 2011-10-19 EP disclosed