SCHEMBL11025409

SCHEMBL11025409

COC(=O)CCC(Br)C(C)Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
SLC1A1 P43005 1/20 0.42
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.39
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL1483381 0.82
SCHEMBL7836679 0.79
SCHEMBL125808 0.77
SCHEMBL9067445 0.76 TSHR (0.52) TSHRSLC1A1KMT2ALMNAHSD17B10
SCHEMBL28622251 0.76
SCHEMBL16019027 0.75
Ammonia Solution, Strong SCHEMBL9515995 0.75 TSHR (0.57) TSHRSLC1A1KMT2ALMNAHSD17B10
Hydrochloric Acid SCHEMBL30288135 0.75 TSHR (0.57) TSHRSLC1A1KMT2ALMNAHSD17B10
Hydrochloric Acid SCHEMBL30807127 0.75 TSHR (0.57) TSHRSLC1A1KMT2ALMNAHSD17B10
SCHEMBL13167911 0.75

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-4529814-A Acyloxyalkadienoates and their preparation BASF AKTIENGESELLSCHAFT (DE) 1985-07-16 US disclosed