SCHEMBL21065720

SCHEMBL21065720

C[C@H](C=O)C(=CNCc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH7 P40394 1/20 0.47
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ITGB1 P05556 2/20 0.40
ITGA5 P08648 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL26983698 0.74 CYP2C9 (0.60) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL28580835 0.71 ADH1B (0.53) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL23620721 0.71 ADH1B (0.48) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL28153270 0.70 ADH1B (0.57) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL7449229 0.70 ADH1B (0.52) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL7449222 0.70 ADH1B (0.52) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL22702133 0.69 ADH1B (0.46) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL627479 0.69 ADH1B (0.54) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL20204556 0.69 ADH1B (0.36) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL19675583 0.69 ADH1B (0.42) ADH1BADH1CADH1AADH7KMT2A

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-3500890-A1 COMPOSITE FILM, DEVICE INCLUDING, AND METHOD OF FORMING THE SAME Nanyang Technological University (SG) 2019-06-26 EP disclosed