SCHEMBL10728337

SCHEMBL10728337

CCC1(C(=O)O)CC(=O)C(C(=O)C2CCCC2)C(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL10728297 0.98 MAPT (0.37) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10727475 0.97 MAPT (0.38) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10732645 0.94 MAPT (0.39) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10732803 0.77 MAPT (0.37) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL7934805 0.76 MAPT (0.52) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL10734145 0.71 MAPT (0.45) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL7925548 0.71 CES2 (0.42) MAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL8995854 0.71 MAPT (0.40) MAPTSMN1; SMN2GAAALDH1A1KDM4E
SCHEMBL7971082 0.69 CYP2C19 (0.33) ALDH1A1KDM4ETSHR
SCHEMBL10191378 0.69 ALDH1A1 (0.46) ALDH1A1

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
US-4693745-A Cyclohexanedionecarboxylic acid derivatives with herbicidal and plant growth regulating properties CIBA-GEIGY CORPORATION (US) 1987-09-15 US claimed
US-4693745-A Cyclohexanedionecarboxylic acid derivatives with herbicidal and plant growth regulating properties CIBA-GEIGY CORPORATION (US) 1987-09-15 US disclosed