SCHEMBL28833359

SCHEMBL28833359

O=C(O)CNC1CCCCC1.O=C(O)CNC1CCCCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
DPP7 Q9UHL4 5/20 0.47
KDM4E B2RXH2 3/20 0.46
EPHX1 P07099 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
CYP3A4 P08684 1/20 0.46
EPHX2 P34913 1/20 0.46
DPP4 P27487 7/20 0.46
FAP Q12884 4/20 0.46
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL173401 1.00 ALDH1A1 (0.50) ALDH1A1DPP7KDM4EEPHX1NPC1
SCHEMBL201078 1.00 ALDH1A1 (0.50) ALDH1A1DPP7KDM4EEPHX1NPC1
SCHEMBL163395 1.00 ALDH1A1 (0.50) ALDH1A1DPP7KDM4EEPHX1NPC1
SCHEMBL122347 1.00 ALDH1A1 (0.50) ALDH1A1DPP7KDM4EEPHX1NPC1
SCHEMBL159315 1.00 ALDH1A1 (0.50) ALDH1A1DPP7KDM4EEPHX1NPC1
SCHEMBL250459 1.00 ALDH1A1 (0.50) ALDH1A1DPP7KDM4EEPHX1NPC1
SCHEMBL17338009 0.98 ALDH1A1 (0.48) ALDH1A1DPP7KDM4EEPHX1NPC1
SCHEMBL15268412 0.98 ALDH1A1 (0.48) ALDH1A1DPP7KDM4EEPHX1NPC1
SCHEMBL17338024 0.98 ALDH1A1 (0.48) ALDH1A1DPP7KDM4EEPHX1NPC1
SCHEMBL22029349 0.98 ALDH1A1 (0.48) ALDH1A1DPP7KDM4EEPHX1NPC1

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-114980933-A Compositions and methods for treating viral infections 奇达拉治疗公司 2022-08-30 CN disclosed