SCHEMBL28027372

SCHEMBL28027372

Cc1cc2c(c(C)c1Br)C(=O)C(CO)(CO)O2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ESR2 Q92731 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
SCHEMBL28027393 0.82 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL28027445 0.80 PTPN1 (0.31)
SCHEMBL658198 0.78 PTGS2 (0.31) PTGS2ALDH1A1MAPTESR2
SCHEMBL28121903 0.75 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL28028015 0.70
SCHEMBL28028018 0.70
SCHEMBL28821786 0.62 KDM4E (0.40) PTGS2ALDH1A1MAPTESR2
SCHEMBL3603579 0.61 TSHR (0.31) ALDH1A1
SCHEMBL3599725 0.58 TSHR (0.32) ALDH1A1
SCHEMBL28027402 0.57 PTGS2 (0.33) PTGS2ALDH1A1MAPT

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-104870429-B Benzofuran derivative, preparation method therefor, and medical application thereof 四川海思科制药有限公司 2017-05-03 CN disclosed
CN-104870429-A Benzofuran derivative, preparation method therefor, and medical application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-08-26 CN disclosed