SCHEMBL7650740

SCHEMBL7650740

CC(C)(O)C(C)(C)OB(O)CNC(=O)COc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
KMT2A Q03164 3/20 0.49
NPC1 O15118 3/20 0.47
ALPL P05186 2/20 0.47
ALPI P09923 2/20 0.47
ALPG P10696 2/20 0.47
USP2 O75604 1/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL7650743 0.84 HPGD (0.56) HPGDKMT2ANPC1ALPLALPI
SCHEMBL7648550 0.82 NPC1 (0.44) HPGDKMT2ANPC1MEN1RAB9A
SCHEMBL7645749 0.73 ALDH1A1 (0.34) SMN1; SMN2
SCHEMBL12224103 0.73 HPGD (0.62) HPGDKMT2ANPC1ALPLALPI
SCHEMBL7644181 0.72 HPGD (0.51) HPGDKMT2ANPC1MEN1RAB9A
SCHEMBL16178580 0.71 CA1 (0.44) HPGDKMT2A
SCHEMBL1433698 0.71 RAB9A (0.81) HPGDKMT2ANPC1ALPLALPI
SCHEMBL7645199 0.71 KDM4E (0.30) KDM4E
SCHEMBL11113311 0.71 HPGD (0.59) HPGDKMT2ANPC1ALPLALPI
SCHEMBL11162047 0.70 KMT2A (0.61) HPGDKMT2ANPC1ALPLALPI

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-2002022137-A1 β-LACTAM ANALOGS AND USES THEREFOR SHOICHET BRIAN K (US) 2002-03-21 WO disclosed