SCHEMBL28625441

SCHEMBL28625441

COC(=O)[C@@H](O)[C@H](C)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
EPOR P19235 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
LTA4H P09960 1/20 0.45
ATM Q13315 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL17275438 1.00 KMT2A (0.47) KMT2AMEN1EPORL3MBTL1MAPT
SCHEMBL17275437 1.00 KMT2A (0.47) KMT2AMEN1EPORL3MBTL1MAPT
SCHEMBL17283024 0.86 KMT2A (0.49) KMT2AMEN1EPORL3MBTL1MAPT
SCHEMBL17275362 0.83 KMT2A (0.49) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL16932332 0.83 KMT2A (0.49) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL28150189 0.83 KMT2A (0.49) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL20641024 0.83 KMT2A (0.46) KMT2AMEN1EPORL3MBTL1MAPT
SCHEMBL10315705 0.83 KMT2A (0.46) KMT2AMEN1EPORL3MBTL1MAPT
SCHEMBL10315707 0.83 KMT2A (0.46) KMT2AMEN1EPORL3MBTL1MAPT
SCHEMBL5655937 0.82 KMT2A (0.56) KMT2AMEN1EPORL3MBTL1MAPT

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
CN-106661084-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2021-08-31 CN disclosed