SCHEMBL28946004

SCHEMBL28946004

C1OC1CC(OC(CC1CO1)C1CO1)C1CO1.c1cc2ccc1-2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
MGLL Q99685 3/20 0.31
CHRM4 P08173 2/20 0.30
CHRM5 P08912 2/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 0.30
GLA P06280 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
Benzene SCHEMBL1170738 0.86 TDP1 (0.35) CHRM2TDP1ALDH1A1TP53CYP3A4
SCHEMBL753790 0.85 ALDH1A1 (0.37) CHRM2TDP1ALDH1A1TP53CYP3A4
SCHEMBL2895677 0.82 LTA4H (0.31) MGLL
SCHEMBL28491323 0.80 MEN1 (0.38) CHRM2TDP1MGLLCHRM4CHRM5
SCHEMBL28559530 0.77 HTR6 (0.31)
SCHEMBL11360811 0.75
SCHEMBL28378706 0.74 TDP1 (0.34) CHRM2TDP1ALDH1A1TP53CYP3A4
SCHEMBL16908452 0.74
SCHEMBL9663741 0.73 MAOB (0.34) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL877118 0.71 ALDH1A1 (0.32) ALDH1A1TSHR

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-114773586-A Poly (fluorophenyl ester) polymer material and synthesis method thereof 西安交通大学 2022-07-22 CN claimed