SCHEMBL31010232

SCHEMBL31010232

CCOCC(C(C)C)n1cccn1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
NOS1 P29475 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
SCHEMBL31010049 0.84 MEN1 (0.33) ADRB2ADRB1ADRB3NOS1
SCHEMBL26854965 0.84 HRH1 (0.32) HRH1KCNH2NOS1
SCHEMBL26854577 0.84 HRH1 (0.32) HRH1KCNH2NOS1
SCHEMBL31010314 0.84 HRH1 (0.32) HRH1KCNH2NOS1
SCHEMBL7563172 0.81 HRH1 (0.34) HRH1KCNH2NOS1
SCHEMBL31010104 0.79 FDPS (0.32)
SCHEMBL15158965 0.78 NOS1 (0.35) HRH1KCNH2NOS1
SCHEMBL1198222 0.76 NOS1 (0.35) HRH1KCNH2NOS1
SCHEMBL24900643 0.74 ALDH1A1 (0.36)
SCHEMBL12862847 0.74 HRH1 (0.31) HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4646410-A1 TUBULIN POLYMERIZATION INHIBITORS AB Science (FR) 2025-11-12 EP disclosed
WO-2024146923-A1 TUBULIN POLYMERIZATION INHIBITORS AB SCIENCE (FR) 2024-07-11 WO disclosed