SCHEMBL13891742

SCHEMBL13891742

C=C(C(=O)OCCN1CCOCC1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
GAA P10253 1/20 0.58
KMT2A Q03164 6/20 0.56
MAPT P10636 2/20 0.56
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
PRCP P42785 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
LMNA P02545 1/20 0.51
BCHE P06276 1/20 0.51
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL11937432 0.86 ALDH1A1 (0.61) ALDH1A1GAAKMT2AMAPTATM
SCHEMBL501720 0.83 ATM (0.76) ALDH1A1GAAKMT2AMAPTATM
SCHEMBL14369843 0.82 ATM (0.74) ALDH1A1GAAKMT2AMAPTATM
SCHEMBL5350446 0.82 ATM (0.74) ALDH1A1GAAKMT2AMAPTATM
SCHEMBL8608239 0.81 ALDH1A1 (0.61) ALDH1A1GAAKMT2AMAPTATM
SCHEMBL16401785 0.81 GAA (0.58) ALDH1A1GAAKMT2AMAPTATM
SCHEMBL11175977 0.78 ALDH1A1 (0.66) ALDH1A1GAAKMT2AMAPTATM
SCHEMBL501945 0.76 ATM (0.73) ALDH1A1GAAKMT2AATML3MBTL1
SCHEMBL20350638 0.75 ALDH1A1 (0.62) ALDH1A1GAAKMT2AATMMEN1
SCHEMBL67735 0.75 ATM (0.49) ALDH1A1GAAKMT2AATML3MBTL1

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-2053102-A1 Radiation curable inkjet fluids and inks improved for photoyellowing Agfa Graphics N.V. (BE) 2009-04-29 EP disclosed