SCHEMBL27796264

SCHEMBL27796264

CCC(C)CCCC(=O)OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGS1 P23219 1/20 0.35
MAPT P10636 2/20 0.33
PRKCA P17252 2/20 0.32
ACE2 Q9BYF1 1/20 0.32
MAPK1 P28482 1/20 0.31
DGKA P23743 1/20 0.31
CYP1A2 P05177 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
SCHEMBL27914706 0.93 LMNA (0.42) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL1740099 0.90 ALDH1A1 (0.46) PTPN1ALDH1A1LMNATSHRCYP3A4
SCHEMBL29517193 0.82 LMNA (0.46) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL27434544 0.82 LMNA (0.46) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL5027372 0.82 PTPN1 (0.45) PTPN1ALDH1A1LMNATSHRPTGS1
SCHEMBL1740100 0.81 LMNA (0.55) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL28386093 0.80 LMNA (0.38) PTPN1ALDH1A1LMNATSHRCYP3A4
SCHEMBL14956983 0.80 TSHR (0.56) ALDH1A1LMNATSHRCYP3A4ATM
SCHEMBL6239130 0.79 ALDH1A1 (0.40) PTPN1ALDH1A1LMNATSHRCYP3A4
SCHEMBL28850983 0.79 TSHR (0.41) PTPN1ALDH1A1LMNATSHRCYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101896474-B Process for the preparation of ketals and acetals Xikaidis Co.,Ltd. (US) 2016-02-03 CN disclosed
CN-104478844-A Method of making ketals and acetals SEGETIS INC 2015-04-01 CN disclosed
CN-101896474-A Process for the preparation of ketals and acetals GETIS INC 2010-11-24 CN disclosed