SCHEMBL29829697

SCHEMBL29829697

CC1(C)CC(=O)CC(C)(C)N1.[O]

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL38953 0.97 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KDM4ELMNACYP2C19
Hydrochloric Acid SCHEMBL5218604 0.94 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4ELMNACYP2C19
Water SCHEMBL7733637 0.94 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4ELMNACYP2C19
Hydrochloric Acid SCHEMBL20704047 0.94 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4ELMNACYP2C19
Water SCHEMBL4837114 0.94 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4ELMNACYP2C19
SCHEMBL10892597 0.94 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4ELMNACYP2C19
Ammonia Solution, Strong SCHEMBL27484151 0.94 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4ELMNACYP2C19
Iodide SCHEMBL11830139 0.94 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1KDM4ELMNACYP2C19
Ethylene SCHEMBL6311271 0.92 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1KDM4ELMNACYP2C19
Hydrochloric Acid SCHEMBL1572556 0.92 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1KDM4ELMNACYP2C19

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-115028567-A Synthesis process of indole alkaloid Luteoride B 大理大学 2022-09-09 CN disclosed