SCHEMBL19638052

SCHEMBL19638052

Br[Zn]Br.[CH2]C(C)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CA14 Q9ULX7 2/20 0.38
CA12 O43570 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 3/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MEN1 O00255 2/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL28726246 1.00 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12ZDHHC7ALDH1A1
SCHEMBL1098657 0.89
SCHEMBL127462 0.89
SCHEMBL1097587 0.89
SCHEMBL27617301 0.80 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12ALDH1A1KMT2A
SCHEMBL16196001 0.73
SCHEMBL1268355 0.70
SCHEMBL167934 0.69 SMN1; SMN2 (0.48) SMN1; SMN2CA14CA12ZDHHC7ALDH1A1
SCHEMBL482543 0.69
SCHEMBL14744178 0.67

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
US-10577460-B2 Method for producing polyester NIPPON SODA CO., LTD. (JP) 2020-03-03 US disclosed
US-20180022867-A1 METHOD FOR PRODUCING POLYESTER NIPPON SODA CO., LTD. (JP) 2018-01-25 US disclosed
EP-3248998-A1 METHOD FOR PRODUCING POLYESTER Nippon Soda Co., Ltd. (JP) 2017-11-29 EP disclosed