SCHEMBL20052032

SCHEMBL20052032

COC(=O)c1cc(N)cc(C(=O)OCc2ccccc2)c1-c1c(COC=O)cc(N)cc1C(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
EGFR P00533 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL20052030 0.86 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL20052028 0.76 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL27522004 0.75 ALDH1A1 (0.59) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL3820448 0.73 ALDH1A1 (0.74) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL20052031 0.73 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL23812449 0.72 ALDH1A1 (0.58) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL20052027 0.72 ALDH1A1 (0.51) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL27726654 0.71 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL28773726 0.71 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
SCHEMBL27747372 0.71 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1TSHRCYP3A4

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-9944723-B2 Photopolymerizable compositions featuring novel amine accelerator for improved color stability and reduced polymerization stress thereby DENTSPLY SIRONA INC. (US) 2018-04-17 US disclosed