SCHEMBL28522397

SCHEMBL28522397

CC(CC1CO1)(CC1CO1)C(=O)O.O=c1[nH]c(=O)[nH]c(=O)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TP53 P04637 1/20 0.31
HBB P68871 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM2 Q14416 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
SCHEMBL2996873 0.78 TSHR (0.37) CYP2D6TSHRCYP2C19HIF1AGRM2
SCHEMBL7540204 0.71 ALDH1A1 (0.37) CYP2D6TSHRCYP2C19HIF1ATP53
SCHEMBL18302657 0.71 ALDH1A1 (0.37) CYP2D6TSHRCYP2C19HIF1ATP53
SCHEMBL7608284 0.70 BLM (0.50) TSHR
SCHEMBL5718550 0.70 ALDH1A1 (0.43) CYP2D6TSHRCYP2C19HIF1A
SCHEMBL6244589 0.70 ALDH1A1 (0.43) TSHR
SCHEMBL5249504 0.70 TET2 (0.38) CYP2D6TSHRCYP2C19HIF1A
SCHEMBL6519062 0.69 ALDH1A1 (0.38) TSHR
SCHEMBL10964445 0.69 TP53 (0.34) TP53HBBSMN1; SMN2
SCHEMBL8751000 0.69 ACLY (0.32) TP53HBBSMN1; SMN2

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-112313226-A Resist underlayer film forming composition containing reaction product with glycidyl ester compound 日产化学株式会社 2021-02-02 CN disclosed