SCHEMBL28047890

SCHEMBL28047890

C(OCC1CO1)C1CO1.Oc1c(Cc2ccccc2-c2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
MGLL Q99685 6/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
DPP4 P27487 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
HNF4A P41235 1/20 0.35

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
SCHEMBL17667218 0.88 HSPA5 (0.43) TDP1MGLLCHRNB2CHRNA4DPP4
SCHEMBL28047889 0.87 MGLL (0.38) MGLL
SCHEMBL17667220 0.84 HSPA5 (0.39) TDP1MGLLALDH1A1
SCHEMBL3854585 0.83 TDP1 (0.42) TDP1MGLLALDH1A1TP53CYP3A4
SCHEMBL17667226 0.82 MGLL (0.40) TDP1MGLL
SCHEMBL28047754 0.81 MGLL (0.39) TDP1MGLL
SCHEMBL28047892 0.80 THRA (0.43) TDP1MGLL
SCHEMBL17667188 0.79 MGLL (0.40) TDP1MGLL
SCHEMBL17667185 0.79 MGLL (0.40) TDP1MGLLALDH1A1
2-Phenylphenol SCHEMBL811951 0.79 ALDH1A1 (0.55) TDP1MGLLALDH1A1

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-105246940-B Optical semiconductor sealing solidification compound 株式会社大赛璐 2018-09-04 CN disclosed
CN-105246940-A Curable composition for sealing optical semiconductor DAICEL CORP 2016-01-13 CN disclosed