SCHEMBL9670837

SCHEMBL9670837

CCCCOC(=O)CCC(C)(C)Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HTR2C P28335 1/20 0.45
ATM Q13315 1/20 0.42
DNM1 Q05193 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX2 P34913 2/20 0.39
MAPK1 P28482 2/20 0.39
FAAH O00519 1/20 0.39
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
PAM P19021 2/20 0.38

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
SCHEMBL27842673 0.87 DGKA (0.52) DGKANAAAALDH1A1HTR2CATM
SCHEMBL12591201 0.85 DGKA (0.53) DGKANAAAALDH1A1HTR2CATM
SCHEMBL9361579 0.84 DGKA (0.48) DGKANAAAALDH1A1HTR2CATM
SCHEMBL11677306 0.84 DGKA (0.48) DGKANAAAALDH1A1HTR2CATM
SCHEMBL9961615 0.83 DGKA (0.52) DGKANAAAALDH1A1HTR2CATM
SCHEMBL27321329 0.83 DGKA (0.52) DGKANAAAALDH1A1HTR2CATM
SCHEMBL4461667 0.81 DGKA (0.50) DGKANAAAALDH1A1HTR2CATM
SCHEMBL28828157 0.81 NAAA (0.55) DGKANAAAHTR2CDNM1PRSS1
SCHEMBL11656606 0.80 DGKA (0.42) DGKANAAAALDH1A1HTR2CATM
SCHEMBL11656602 0.80 DGKA (0.42) DGKANAAAALDH1A1HTR2CATM

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
EP-0470295-A1 Process for the preparation of 2,2-dimethylcyclopropane-carboxylic acid butyl ester and its corresponding amide HÜLS AKTIENGESELLSCHAFT (DE) 1992-02-12 EP claimed
EP-0470295-A1 Process for the preparation of 2,2-dimethylcyclopropane-carboxylic acid butyl ester and its corresponding amide HÜLS AKTIENGESELLSCHAFT (DE) 1992-02-12 EP disclosed
EP-0470295-A1 Process for the preparation of 2,2-dimethylcyclopropane-carboxylic acid butyl ester and its corresponding amide HÜLS AKTIENGESELLSCHAFT (DE) 1992-02-12 EP disclosed