SCHEMBL15426830

SCHEMBL15426830

NNC(=O)COc1ccc(Oc2ccc(OCC(=O)NN)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
KDM4E B2RXH2 3/20 0.68
LMNA P02545 1/20 0.59
OGG1 O15527 2/20 0.53
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GALR3 O60755 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
SCHEMBL4422333 0.94 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAOGG1MEN1
SCHEMBL4413701 0.88 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAOGG1RAB9A
SCHEMBL4409512 0.85 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAOGG1MEN1
SCHEMBL11872758 0.85 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAOGG1GAA
SCHEMBL5434584 0.85 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL1713424 0.85 ALDH1A1 (0.63) ALDH1A1KDM4ELMNASMN1; SMN2MEN1
SCHEMBL2835832 0.85 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAOGG1MEN1
SCHEMBL11547674 0.85 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAOGG1RAB9A
SCHEMBL1303739 0.85 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAOGG1GAA
SCHEMBL4412023 0.85 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAOGG1HTT

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-2684907-B1 RESIN, OPTICAL MATERIAL, AND OPTICAL DEVICE MITSUI CHEMICALS INC (JP) 2020-02-26 EP disclosed
US-9221949-B2 Resin, optical material, and optical device MITSUI CHEMICALS, INC. (JP) 2015-12-29 US disclosed
EP-2684907-A1 RESIN, OPTICAL MATERIAL, AND OPTICAL DEVICE Mitsui Chemicals, Inc. (JP) 2014-01-15 EP disclosed