SCHEMBL27363694

SCHEMBL27363694

CC(C)CCCC(C)(C)CCN

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.35
TRPV1 Q8NER1 1/20 0.31
TRPA1 O75762 1/20 0.31
BLM P54132 1/20 0.30
GABRR1 P24046 2/20 0.30

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
SCHEMBL26976956 0.85 CYP2D6 (0.32)
SCHEMBL24253819 0.84 LMNA (0.39) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL11630204 0.83 CYP2D6 (0.43) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL20628247 0.81 MEN1 (0.31) MEN1CYP3A4ALOX15KMT2A
SCHEMBL24477922 0.80 TSHR (0.39) MEN1CYP3A4ALOX15KMT2A
SCHEMBL22606382 0.79 NFKB1 (0.32) LMNABLM
SCHEMBL21989948 0.78 MEN1 (0.44) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL8736714 0.78 MEN1 (0.39) MEN1CYP3A4ALOX15KMT2ALMNA
Bromide SCHEMBL28686512 0.77 LMNA (0.43) MEN1CYP3A4ALOX15KMT2ALMNA
SCHEMBL829645 0.76 CYP2D6 (0.37) MEN1ALOX15KMT2ALMNABLM

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-2023086098-A9 OCULAR SEALANT FORMULATIONS AND SYSTEMS AND METHODS OF PREPARATION AND USE THEREOF OCULAR THERAPEUTIX, INC. (US) 2024-02-15 WO disclosed