SCHEMBL28811136

SCHEMBL28811136

CCCOC(=O)C(Br)C(C)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL27959781 0.88 ALDH1A1 (0.48) HCAR2FAAHALDH1A1TDP1ESR1
SCHEMBL4250375 0.86 HCAR2 (0.41) HCAR2FAAHALDH1A1LMNATDP1
SCHEMBL9753730 0.82 ALDH1A1 (0.42) HSD17B10FAAHALDH1A1LMNA
SCHEMBL37003 0.79
SCHEMBL28320811 0.79
SCHEMBL29832137 0.77
SCHEMBL6210768 0.77
SCHEMBL27458 0.77
SCHEMBL29387028 0.77 HSD17B10 (0.42) HSD17B10HCAR2ALDH1A1LMNATDP1
SCHEMBL2484567 0.77

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
CN-102633664-B Preparation method of L-carnitine GUANGXI XINJING TECHNOLOGY CO LTD 2014-05-28 CN disclosed