SCHEMBL28197894

SCHEMBL28197894

[CH2]Cc1cccc(COC(=O)C(=C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
STAT1 P42224 1/20 0.40
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.36
HCAR2 Q8TDS4 3/20 0.36
MGLL Q99685 1/20 0.36
MAOB P27338 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL10322053 0.93 ALDH1A1 (0.48) ALDH1A1RAB9AKDM4EGAASTAT1
SCHEMBL4361517 0.87 ALDH1A1 (0.43) ALDH1A1RAB9AKDM4EGAASTAT1
SCHEMBL1904651 0.85 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1
SCHEMBL28187045 0.84 ALDH1A1 (0.49) ALDH1A1RAB9AKDM4EGAASTAT1
SCHEMBL28187054 0.84 ALDH1A1 (0.49) ALDH1A1RAB9AKDM4EGAASTAT1
SCHEMBL10724696 0.84 MAOB (0.52) ALDH1A1MAOBMMP2MMP9MMP12
SCHEMBL9555001 0.84 ALDH1A1 (0.43) ALDH1A1RAB9AKDM4EGAASTAT1
SCHEMBL12804660 0.83 ALDH1A1 (0.40) ALDH1A1RAB9AKDM4EGAASTAT1
SCHEMBL23750151 0.83 MMP1 (0.44) ALDH1A1MGLLMMP2MMP9MMP12
SCHEMBL21112022 0.83 HCAR2 (0.55) RAB9AKDM4EGAASTAT1HCAR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108603089-A The adhesive composition and application thereof of moisture and radiation-curable 汉高知识产权控股有限责任公司 2018-09-28 CN disclosed
CN-107849253-A Polysiloxane and moisture and the adhesive composition of radiation-curable comprising it 汉高知识产权控股有限责任公司 2018-03-27 CN disclosed