SCHEMBL23447176

SCHEMBL23447176

CC(C)(C)OC(=O)CCC(NC(=O)C(N)CCC(=O)NCC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.49
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SYK P43405 1/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PSMB5 P28074 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABCC3 O15438 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
NR3C1 P04150 1/20 0.40

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
SCHEMBL24235567 0.91 LTA4H (0.49) LTA4HPOLBGAAMEN1KMT2A
SCHEMBL23475268 0.89 LTA4H (0.45) LTA4HPOLBGAAMEN1KMT2A
SCHEMBL30565197 0.88 LTA4H (0.48) LTA4HMEN1KMT2AALDH1A1HPGD
SCHEMBL23447187 0.87 MEN1 (0.44) LTA4HPOLBGAAMEN1KMT2A
SCHEMBL24235721 0.87 LTA4H (0.47) LTA4HMEN1KMT2AALDH1A1HPGD
SCHEMBL24235612 0.86 LTA4H (0.50) LTA4HPOLBGAAMEN1KMT2A
SCHEMBL22300888 0.86 LTA4H (0.64) LTA4HPOLBGAAMEN1KMT2A
SCHEMBL23447186 0.85 MEN1 (0.44) LTA4HPOLBGAAMEN1KMT2A
SCHEMBL24235585 0.85 LTA4H (0.47) LTA4HPOLBGAAMEN1KMT2A
SCHEMBL24235759 0.84 MEN1 (0.45) LTA4HMEN1KMT2AALDH1A1HPGD

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
WO-2021104120-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 WO disclosed