SCHEMBL28676565

SCHEMBL28676565

C[C@@H]1CCCC(C)(C)C(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CRBN Q96SW2 1/20 0.34
CYP19A1 P11511 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7751354 1.00 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL8678507 0.86 MEN1 (0.39) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL16359987 0.73 CA1 (0.39) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL8165313 0.73 CA1 (0.39) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL29130718 0.73 CA1 (0.39) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL107630 0.73 CA1 (0.39) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL2904914 0.72
SCHEMBL8165671 0.68 LMNA (0.33) LMNACYP19A1CA1CA2CA4
SCHEMBL16769855 0.67 MEN1 (0.34) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL29255961 0.67 CA1 (0.34) KMT2ALMNACYP19A1CA1CA2

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
CN-113773180-B Method for synthesizing flea beetle aggregation pheromone 中国农业大学 2022-07-26 CN disclosed
CN-113773180-A Method for synthesizing flea beetle aggregation pheromone 中国农业大学 2021-12-10 CN disclosed