SCHEMBL28534409

SCHEMBL28534409

c1ccc(OC2(OC3(Oc4ccccc4)CCO3)CCO2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA4 P22748 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 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
SCHEMBL9150620 0.85 HTR1A (0.31)
SCHEMBL29839565 0.75 POLB (0.37) LTA4HTSHRGAANPSR1CA4
SCHEMBL10594921 0.73 GAA (0.38) TSHRGAANPSR1
SCHEMBL3809762 0.71 LTA4H (0.30) LTA4HTSHR
SCHEMBL440309 0.68 CA4 (0.37) LTA4HTSHRGAANPSR1CA4
SCHEMBL20270422 0.67 LTA4H (0.43) LTA4HTSHRGAANPSR1CA4
SCHEMBL30877099 0.67 POLB (0.35) LTA4HTSHRGAANPSR1CA4
SCHEMBL536142 0.67 KDM4E (0.31) LTA4HTSHRNPSR1
SCHEMBL7532040 0.66 FAAH (0.33)
SCHEMBL6369878 0.66 HTR1A (0.31)

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
CN-112469723-A Cationically curable compositions with latent reducing agents exhibiting low cure temperatures 汉高知识产权控股有限责任公司 2021-03-09 CN disclosed