SCHEMBL30006749

SCHEMBL30006749

COC(=O)c1cc(CNCCN(C)C(=O)OC(C)(C)C)ccc1N(C)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC2A1 P11166 1/20 0.34
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
METAP2 P50579 1/20 0.32
CYP19A1 P11511 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL30005644 0.84 KMT2A (0.45) KMT2AALDH1A1L3MBTL1CYP19A1HSD17B10
SCHEMBL30005739 0.81 KMT2A (0.50) KMT2AALDH1A1L3MBTL1GAATSHR
SCHEMBL30005618 0.76 ALDH1A1 (0.49) KMT2AALDH1A1MEN1
SCHEMBL30005928 0.74 HDAC1 (0.35) KMT2AALDH1A1METAP2CYP19A1
SCHEMBL16269680 0.72 ATM (0.48) KMT2AALDH1A1L3MBTL1FPR3FPR2
SCHEMBL7808421 0.72 KDM4E (0.42) ALDH1A1FPR3FPR2HSD17B10KDM4E
SCHEMBL30004674 0.72 ALDH1A1 (0.46) KMT2AALDH1A1L3MBTL1CYP19A1GAA
SCHEMBL12286676 0.72 ALDH1A1 (0.44) KMT2AALDH1A1L3MBTL1FPR3FPR2
SCHEMBL14535359 0.71 CYP1A2 (0.46) KMT2AFPR3FPR2KDM4EHPGD
SCHEMBL3919913 0.71 FPR3 (0.39) FPR3FPR2

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed