SCHEMBL9772007

SCHEMBL9772007

CCCC(=O)OC[C@H](Cl)CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PRKCA P17252 3/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38
DGKA P23743 1/20 0.35
LPAR6 P43657 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR4 Q99677 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35

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
SCHEMBL9771985 1.00 ALDH1A1 (0.43) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL10835316 0.86 TSHR (0.46) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL11084728 0.85 MAPT (0.62) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL10836593 0.83 NAAA (0.38) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL3607268 0.81 ALDH1A1 (0.48) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL27782333 0.80 LMNA (0.51) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL6307110 0.80 LMNA (0.51) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL10837142 0.79 MAPT (0.48) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL15120983 0.77 ALDH1A1 (0.59) ALDH1A1MAPTLMNAPRKCAPRKCE
SCHEMBL10835334 0.76 MAPT (0.46) ALDH1A1MAPTLMNATSHRCYP3A4

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
US-5032523-A Preparation of optically active esters LION CORPORATION (JP) 1991-07-16 US disclosed