SCHEMBL30987470

SCHEMBL30987470

C(=CC1CCCCC1)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.52
▸ PTGS1 P23219 1/20 0.46
▸ NQO2 P16083 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CNR2 P34972 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40

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
SCHEMBL164340 0.77 MAOA (0.51) —
SCHEMBL933856 0.77 MAOA (0.51) —
SCHEMBL24198614 0.75 MAOA (0.53) —
SCHEMBL29168417 0.75 ALDH1A1 (0.44) ALDH1A1
SCHEMBL5050698 0.74 RELA (0.86) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL5552166 0.74 RELA (0.86) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL5050695 0.74 RELA (0.86) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL29842519 0.74 RELA (0.86) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL5552162 0.74 RELA (0.86) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL28926417 0.74 RELA (0.46) RELAPTGS1NQO2ALDH1A1GLA

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-118405955-A Synthetic method of olefin compound 浙江工业大学 2024-07-30 — — CN disclosed
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