SCHEMBL8095290

SCHEMBL8095290

CCCCCC1CC(CO)C(=O)O1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL864222 0.98 HTT (0.54) HTTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL3657694 0.88 HTT (0.59) HTTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL3657063 0.87 HTT (0.56) HTTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL9450633 0.86 HTT (0.58) HTTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL3658650 0.86 HTT (0.62) HTTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL3656048 0.86 HTT (0.59) HTTSMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL9673095 0.85 HTT (0.61) HTTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL9673101 0.85 HTT (0.61) HTTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL9673119 0.85 HTT (0.61) HTTSMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL14973545 0.82 KMT2A (0.60) HTTSMN1; SMN2ALDH1A1HPGDKDM4E

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
JP-2000281669-A PRODUCTION OF ALPHA-HYDROXYALKYL-GAMMA-BUTYLOLACTONES NIPPON SHOKUBAI CO LTD 2000-10-10 JP disclosed