SCHEMBL28070845

SCHEMBL28070845

CCCC(CBr)CC(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
FAAH O00519 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
BIRC2 Q13490 1/20 0.33

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
SCHEMBL28070844 1.00 TSHR (0.36) TSHRZDHHC7CA1CA2CA12
SCHEMBL13506382 0.87 TSHR (0.42) TSHRZDHHC7CA1CA2CA12
SCHEMBL11356150 0.87 TSHR (0.42) TSHRZDHHC7CA1CA2CA12
SCHEMBL26802498 0.83 CA2 (0.39) TSHRZDHHC7CA1CA2CA12
SCHEMBL21881999 0.82 ALDH1A1 (0.48) TSHRCA1CA2CA12HSD17B10
SCHEMBL20225965 0.82 ALDH1A1 (0.48) TSHRCA1CA2CA12HSD17B10
SCHEMBL28228511 0.82 TSHR (0.37) TSHRZDHHC7CA1CA2CA12
SCHEMBL21801003 0.80 TSHR (0.38) TSHRCA1CA2CA12CA14
SCHEMBL21801004 0.80 TSHR (0.38) TSHRCA1CA2CA12CA14
SCHEMBL21052370 0.80 TSHR (0.46) TSHRCA1CA2CA12CA14

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-117126092-A Preparation method of brivaracetam 上海上药创新医药技术有限公司 2023-11-28 CN disclosed
CN-105646319-B A kind of preparation method of Bu Waxitan 佛山市隆信医药科技有限公司 2018-05-18 CN disclosed
CN-105646319-A Preparation method of brivaracetam 佛山市隆信医药科技有限公司 2016-06-08 CN disclosed