SCHEMBL31468286

SCHEMBL31468286

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
EPHX2 P34913 2/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NAMPT P43490 1/20 0.32
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 1/20 0.31
CES2 O00748 1/20 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
SCHEMBL31468266 1.00 CA2 (0.39) CA2EPHX2TSHRALDH1A1NAMPT
SCHEMBL4512963 1.00 CA2 (0.39) CA2EPHX2TSHRALDH1A1NAMPT
SCHEMBL31468267 1.00 CA2 (0.39) CA2EPHX2TSHRALDH1A1NAMPT
SCHEMBL31468271 1.00 CA2 (0.39) CA2EPHX2TSHRALDH1A1NAMPT
SCHEMBL232929 1.00 CA2 (0.39) CA2EPHX2TSHRALDH1A1NAMPT
SCHEMBL5556018 1.00 CA2 (0.39) CA2EPHX2TSHRALDH1A1NAMPT
SCHEMBL23451307 1.00 CA2 (0.39) CA2EPHX2TSHRALDH1A1NAMPT
SCHEMBL221314 0.98
SCHEMBL11571033 0.94 EPHX2 (0.37) CA2EPHX2TSHRALDH1A1NAMPT
SCHEMBL871278 0.87 MEN1 (0.35) TSHRALDH1A1CES2

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-2025064681-A1 COMPOUNDS AND METHODS FOR TREATING BACTERIAL INFECTIONS ENTASIS THERAPEUTICS INC. (US) 2025-03-27 WO disclosed