SCHEMBL29190477

SCHEMBL29190477

CC1OC2(CCCCC2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHRNA7 P36544 1/20 0.37

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
SCHEMBL12622887 0.84 TMEM97 (0.40) TMEM97SIGMAR1ADRA2A
SCHEMBL2360287 0.83 SIGMAR1 (0.52) SIGMAR1ADRA2A
SCHEMBL3406036 0.83 SIGMAR1 (0.37) TMEM97SIGMAR1ADRA2A
SCHEMBL736557 0.83 SIGMAR1 (0.52) SIGMAR1ADRA2A
SCHEMBL24203981 0.81 MEN1 (0.37) SIGMAR1ADRA2A
SCHEMBL30376318 0.81 MEN1 (0.37) SIGMAR1ADRA2A
SCHEMBL11864088 0.81 SIGMAR1 (0.54) SIGMAR1ADRA2A
SCHEMBL17027449 0.80 SIGMAR1 (0.36) TMEM97SIGMAR1ADRA2A
SCHEMBL11401467 0.79 TMEM97 (0.47) TMEM97SIGMAR1ADRA2A
SCHEMBL11401469 0.79 TMEM97 (0.47) TMEM97SIGMAR1ADRA2A

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-116261557-A Cyclic cyanoketene derivatives as KEAP1 modulators 默沙东有限责任公司 2023-06-13 — — CN disclosed
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