SCHEMBL28616458

SCHEMBL28616458

C(OCC1CO1)C1CO1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
MGLL Q99685 4/20 0.46
GLA P06280 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
Biphenyl SCHEMBL93293 0.92 TDP1 (0.59) TDP1ALDH1A1TSHRTP53CYP3A4
Biphenyl SCHEMBL23045578 0.92 TDP1 (0.59) TDP1ALDH1A1TSHRTP53CYP3A4
Biphenyl SCHEMBL27996658 0.92 TDP1 (0.59) TDP1ALDH1A1TSHRTP53CYP3A4
Tannin Pyrogallol SCHEMBL27708032 0.90 TDP1 (0.57) TDP1ALDH1A1TSHRTP53CYP3A4
SCHEMBL6519206 0.89 HSD17B1 (0.48) TDP1ALDH1A1TSHRTP53CYP3A4
SCHEMBL28092996 0.89 ALDH1A1 (0.45) TDP1ALDH1A1TSHRTP53CYP3A4
SCHEMBL17667209 0.86 TDP1 (0.46) TDP1ALDH1A1TSHRTP53CYP3A4
SCHEMBL28092998 0.86 TDP1 (0.46) TDP1ALDH1A1TSHRTP53CYP3A4
SCHEMBL27919015 0.86 AGXT (0.45) TDP1ALDH1A1TSHRTP53CYP3A4
Biphenyl SCHEMBL3958846 0.84 TDP1 (0.50) TDP1ALDH1A1TSHRTP53CYP3A4

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-110191915-B Prepreg, method for producing same, and slit tape prepreg 东丽株式会社 2021-07-23 CN disclosed