SCHEMBL21921367

SCHEMBL21921367

CN[C@@H](C)CCCC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
CASP1 P29466 1/20 0.44
SLC18A2 Q05940 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTT P42858 1/20 0.43
SLC15A1 P46059 1/20 0.43
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
CDC25B P30305 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL22790636 0.91 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL4955877 0.85 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL24201221 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL22403920 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL18858339 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL25984102 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL14195227 0.82 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2ATAAR1
SCHEMBL28377873 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL18686148 0.81 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL9724498 0.80 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1MEN1KMT2A

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-3643721-A1 HETEROLEPTIC IRIDIUM COMPLEX Universal Display Corporation (US) 2020-04-29 EP disclosed