SCHEMBL20052027

SCHEMBL20052027

Nc1cc(C(=O)OCc2ccccc2)c(-c2c(C(=O)OCc3ccccc3)cc(N)cc2-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
TDP1 Q9NUW8 3/20 0.50
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
PRKCZ Q05513 2/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
MAOB P27338 1/20 0.41
ADORA2A P29274 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
SCHEMBL20052031 0.82 ALDH1A1 (0.53) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL20052028 0.82 ALDH1A1 (0.53) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL23812449 0.81 ALDH1A1 (0.58) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL30984114 0.81 ALDH1A1 (0.51) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL20052026 0.80 ALDH1A1 (0.56) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL20695025 0.80 ALDH1A1 (0.57) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL20053010 0.78 ALDH1A1 (0.49) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL23812434 0.78 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL7654417 0.77 ALDH1A1 (0.67) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL20695026 0.76 ALDH1A1 (0.60) ALDH1A1TDP1SLC6A2SLC6A3KMT2A

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 2 patents. 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
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