SCHEMBL24253077

SCHEMBL24253077

CC(C)N1CC[C@@H](O)[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.32
ACE P12821 4/20 0.31
REN P00797 2/20 0.31
KDM4E B2RXH2 1/20 0.31
F2 P00734 1/20 0.31
LMNA P02545 1/20 0.31
LTA4H P09960 1/20 0.31
PEPD P12955 1/20 0.31
ALOX15 P16050 1/20 0.31
PTGS1 P23219 1/20 0.31
HTR2A P28223 1/20 0.31
PTGS2 P35354 1/20 0.31
HRH1 P35367 1/20 0.31
THPO P40225 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL26207916 1.00 TDP1 (0.37) TDP1MAPTACERENKDM4E
SCHEMBL14572722 1.00 TDP1 (0.37) TDP1MAPTACERENKDM4E
SCHEMBL16750061 1.00 TDP1 (0.37) TDP1MAPTACERENKDM4E
SCHEMBL26194901 0.86
SCHEMBL18234076 0.84 EPHX1 (0.33)
SCHEMBL24634005 0.84 MEN1 (0.32)
SCHEMBL26724004 0.82 MEN1 (0.32) MAPTACERENKDM4EF2
SCHEMBL26206150 0.82 MEN1 (0.32) MAPTACERENKDM4EF2
SCHEMBL26724209 0.82 MEN1 (0.32) MAPTACERENKDM4EF2
SCHEMBL26724000 0.82 MEN1 (0.32) MAPTACERENKDM4EF2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023168367-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
EP-4198017-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Academy of Military Medical Sciences (CN) 2023-06-21 EP disclosed
WO-2022033303-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2022-02-17 WO disclosed