SCHEMBL9510976

SCHEMBL9510976

CC(=O)OCCN(CCOC(C)=O)c1ccc(/C=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
PPARG P37231 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
PTGS2 P35354 4/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 4/20 0.42
LMNA P02545 2/20 0.42
PTGS1 P23219 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAOA P21397 2/20 0.40

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
SCHEMBL9510982 1.00 APP (0.50) APPPPARGMEN1KMT2AMAPT
SCHEMBL7476612 0.90 ATM (0.50) PPARGMEN1KMT2AMAPTALDH1A1
SCHEMBL9655690 0.83 PPARG (0.46) PPARGMEN1KMT2AMAPTALDH1A1
SCHEMBL7845708 0.83 ATM (0.53) MEN1KMT2AMAPTALDH1A1ATM
SCHEMBL15628261 0.82 MMP14 (0.53) PPARGMEN1KMT2AMAPTALDH1A1
SCHEMBL9512188 0.82 ALDH1A1 (0.41) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL9512183 0.82 ALDH1A1 (0.41) APPMEN1KMT2AMAPTALDH1A1
SCHEMBL9512215 0.80 APP (0.60) APPPPARGMEN1KMT2AMAPT
SCHEMBL9512221 0.80 APP (0.60) APPPPARGMEN1KMT2AMAPT
SCHEMBL30969410 0.79 MAPT (0.43) PPARGMEN1KMT2AMAPTALDH1A1

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-0350112-B1 POLYURETHANES PREPARED FROM NON-LINEAR OPTICAL ACTIVE DIOLS Akzo Nobel N.V. (NL) 1993-10-06 EP disclosed
US-5001209-A Non-linear optical active diols and polyurethanes prepared therefrom AKZO N.V. (NL) 1991-03-19 US disclosed
EP-0350112-A1 Polyurethanes prepared from non-linear optical active diols Akzo Nobel N.V. (NL) 1990-01-10 EP disclosed