SCHEMBL29138985

SCHEMBL29138985

O=C1CCCCCCCCCCCCCC(O)O1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA9 Q16790 2/20 0.38
KMT2A Q03164 1/20 0.37
LMNA P02545 3/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ESR2 Q92731 2/20 0.31
NR1I2 O75469 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 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
SCHEMBL31316288 1.00 CA1 (0.38) CA1CA9KMT2ALMNACA2
SCHEMBL21179347 1.00 CA1 (0.38) CA1CA9KMT2ALMNACA2
SCHEMBL152308 0.98
SCHEMBL3043435 0.91
SCHEMBL19721505 0.91
SCHEMBL2918784 0.91
SCHEMBL31456451 0.89 ATM (0.32) CA1CA9KMT2ALMNAALDH1A1
SCHEMBL5699216 0.80
SCHEMBL3156917 0.80
SCHEMBL230700 0.80

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-110520513-B Fragrance mixture comprising tricyclo [5.2.1.0] -decane-8-ethyl ether 西姆莱斯有限公司 2024-01-09 CN disclosed