SCHEMBL4070110

SCHEMBL4070110

C=CCNN(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MITF O75030 1/20 0.40
PAX8 Q06710 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.39
TGM2 P21980 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL9015895 0.88 KMT2A (0.42) ALDH1A1HPGDLMNAGAAMTNR1A
SCHEMBL10712715 0.86 ALDH1A1 (0.41) ALDH1A1HPGDLMNAGAAMTNR1A
SCHEMBL27328001 0.79 GAA (0.37) ALDH1A1HPGDLMNAGAAMTNR1A
SCHEMBL11599011 0.76 ALDH1A1 (0.41) ALDH1A1HPGDLMNAGAAMTNR1A
SCHEMBL4945883 0.76 GAA (0.42) ALDH1A1HPGDLMNAGAAMTNR1A
SCHEMBL3706530 0.75 GAA (0.41) ALDH1A1HPGDLMNAGAAMTNR1A
SCHEMBL8017733 0.75 GAA (0.44) ALDH1A1HPGDLMNAGAAMTNR1A
SCHEMBL15526685 0.74 THRB (0.43) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL8602207 0.73 ALDH1A1 (0.37) ALDH1A1HPGDLMNAGAAMTNR1A
SCHEMBL28074532 0.72 HDAC1 (0.43) ALDH1A1HPGDGAAMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079449-A2 PHENYLALKYLAMINO CARBAMATE COMPOSITIONS Janssen Pharmaceutica, N.V. (BE) 2009-07-22 EP disclosed
WO-2008048801-A3 PHENYLALKYLAMINO CARBAMATE COMPOSITIONS JANSSEN PHARMACEUTICA NV (BE) 2008-06-05 WO disclosed
WO-2008048801-A2 PHENYLALKYLAMINO CARBAMATE COMPOSITIONS JANSSEN PHARMACEUTICA NV (BE) 2008-04-24 WO disclosed
EP-0747036-A2 A method of coloring hair with, and hair coloring compositions comprising, sulfo-containing water dispersible colored polymers Bristol-Myers Squibb Company (US) 1996-12-11 EP disclosed