SCHEMBL31190331

SCHEMBL31190331

CC1CCC(C2(OC(=O)/C=C/C(=O)O)CCCCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.34
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ATM Q13315 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
SCHEMBL31190302 0.98 HCAR2 (0.35) HCAR2ATM
SCHEMBL7543729 0.88 HTT (0.39) HCAR2HTTNPC1GAASMN1; SMN2
SCHEMBL7543722 0.88 HTT (0.39) HCAR2HTTNPC1GAASMN1; SMN2
SCHEMBL780365 0.88 HTT (0.39) HCAR2HTTNPC1GAASMN1; SMN2
SCHEMBL31190321 0.88 HTT (0.39) HCAR2HTTNPC1GAASMN1; SMN2
SCHEMBL31190395 0.85 EPHX1 (0.34) HCAR2HTTSMN1; SMN2
SCHEMBL31190304 0.85 HCAR2 (0.39) HCAR2HTTSMN1; SMN2
SCHEMBL31190309 0.85 HCAR2 (0.36) HCAR2
SCHEMBL31190370 0.83 HCAR2 (0.40) HCAR2GAAATM
SCHEMBL31190332 0.83 HCAR2 (0.37) HCAR2ATM

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-2024225302-A1 NOVEL FUMARIC ACID ESTER MONOMER, RESIN, AND FILM CONTAINING SAME 東ソー株式会社 2024-10-31 WO disclosed