SCHEMBL28824549

SCHEMBL28824549

C=C(C(=O)OC)C(C)(OC1CCCC1)OC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
EPHX1 P07099 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2687769 0.81 CYP19A1 (0.31) EPHX1
Acrylic Acid SCHEMBL28493210 0.75 LMNA (0.32) HSD17B10
SCHEMBL28293600 0.72 ALDH1A1 (0.41) ALDH1A1EPHX1SMN1; SMN2NPC1HTT
SCHEMBL7168491 0.70 ALDH1A1 (0.37) ALDH1A1EPHX1SMN1; SMN2EPHX2
SCHEMBL8189508 0.70 ALDH1A1 (0.37) ALDH1A1EPHX1SMN1; SMN2EPHX2
SCHEMBL25475952 0.68 ALDH1A1 (0.34) ALDH1A1
SCHEMBL439260 0.68 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1899520 0.67 ALDH1A1 (0.50) ALDH1A1
SCHEMBL17292666 0.67 HDAC3 (0.32) ALDH1A1
SCHEMBL10578670 0.67 CYP19A1 (0.31) EPHX1

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-107783371-B Colored photosensitive resin composition, color filter and image display device 东友精细化工有限公司 2022-08-26 CN disclosed