SCHEMBL8763546

SCHEMBL8763546

Nc1ccc(-c2ccc(N(CC3CO3)CC3CO3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.42
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 2/20 0.42
PSMD14 O00487 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 1/20 0.42
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 3/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 2/20 0.34
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 3/20 0.31
MAPT P10636 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL1643921 0.91 MEN1 (0.40) CYP3A4ALDH1A1TDP1L3MBTL1TSHR
Methane SCHEMBL20484194 0.89 MEN1 (0.39) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL132721 0.84 MEN1 (0.43) CYP3A4ALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL9480396 0.84 LMNA (0.45) ALDH1A1TDP1L3MBTL1MAPK1MEN1
SCHEMBL21401693 0.82 MEN1 (0.39) MEN1KMT2ALMNA
SCHEMBL21401694 0.82 MEN1 (0.39) MEN1KMT2ALMNA
SCHEMBL10788154 0.81 PSMD14 (0.36) CYP3A4ALDH1A1TDP1L3MBTL1MAPK1
SCHEMBL6229254 0.81 LMNA (0.39) CYP3A4ALDH1A1TDP1L3MBTL1TSHR
SCHEMBL14656023 0.78 ALDH1A1 (0.38) CYP3A4ALDH1A1L3MBTL1TSHRTP53
SCHEMBL1645405 0.77 MAPT (0.41) ALDH1A1TDP1L3MBTL1MAPK1RECQL

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-0551989-B1 Epoxy interpenetrating polymer networks having internetwork bonds EXXON RESEARCH ENGINEERING CO (US) 1997-07-09 EP disclosed
US-5360877-A Impregnation of networks with epoxy resins for networks in oil fields EXXON RESEARCH AND ENGINEERING COMPANY (US) 1994-11-01 US disclosed
EP-0551989-A1 Epoxy interpenetrating polymer networks having internetwork bonds EXXON RESEARCH AND ENGINEERING COMPANY (US) 1993-07-21 EP disclosed