SCHEMBL24167448

SCHEMBL24167448

COc1cc(N(CCO)C(=O)O)cc(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ACKR3 P25106 1/20 0.42
HTR1A P08908 1/20 0.41
HPGD P15428 1/20 0.41
HTR2C P28335 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LPAR1 Q92633 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 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
SCHEMBL19423042 0.83 ALDH1A1 (0.46) KDM4EALDH1A1TP53MEN1KMT2A
SCHEMBL7044788 0.77 TSHR (0.51) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL19423136 0.77 GAA (0.44) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL1336945 0.76 POLB (0.50) ALDH1A1TP53MEN1KMT2ATUBB4A
SCHEMBL17846127 0.76 LMNA (0.49) KDM4EALDH1A1HTTTUBB4ATUBB
SCHEMBL7350723 0.75 ACKR3 (0.54) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL9525689 0.75 KMT2A (0.51) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL8803946 0.72 AOC3 (0.43) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL30958894 0.71 POLB (0.62) TP53MEN1KMT2ALPAR1TUBB4A
Hydrochloric Acid SCHEMBL8805153 0.71 AOC3 (0.42) KDM4EALDH1A1HTTMEN1KMT2A

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-3438105-B1 DIARYL- -LACTAM COMPOUND AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF UNIV FUDAN (CN) 2022-01-05 EP disclosed