SCHEMBL28053740

SCHEMBL28053740

CC(OCC1CO1)=C(C)C(=O)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MGLL Q99685 6/20 0.46
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL28173118 0.80 TDP1 (0.42) TDP1MGLLALDH1A1
SCHEMBL516278 0.79 TDP1 (0.56) TDP1MGLLALDH1A1TP53CYP3A4
SCHEMBL16241157 0.78 ALDH1A1 (0.53) TDP1MGLLALDH1A1TP53CYP3A4
SCHEMBL4838795 0.77 ALDH1A1 (0.51) TDP1MGLLALDH1A1TP53CYP3A4
SCHEMBL28018655 0.77 TDP1 (0.46) TDP1MGLLALDH1A1TP53CYP3A4
SCHEMBL88385 0.77 ELANE (0.40) TDP1MGLLALDH1A1
SCHEMBL2722563 0.75 ALDH1A1 (0.55) MGLLALDH1A1TP53CYP3A4
SCHEMBL17459253 0.75 ALDH1A1 (0.59) TDP1MGLLALDH1A1
SCHEMBL3429148 0.74 MGLL (0.48) TDP1MGLLALDH1A1
SCHEMBL88384 0.74 ALDH1A1 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105278242-A Sensitive composition TOKYO OHKA KOGYO CO LTD 2016-01-27 CN disclosed