SCHEMBL28826320

SCHEMBL28826320

O=C(O)CC(O)(CC(=O)Oc1ccncc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CYP19A1 P11511 1/20 0.46
SLC13A5 Q86YT5 14/20 0.42
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL28299869 0.89 ALDH1A1 (0.56) ALDH1A1SLC13A5HSD17B10LMNAKDM4E
SCHEMBL6600932 0.85 ALDH1A1 (0.52) ALDH1A1CYP19A1SLC13A5HSD17B10LMNA
SCHEMBL28105443 0.84 ALDH1A1 (0.50) ALDH1A1CYP19A1SLC13A5HSD17B10LMNA
Ammonia Solution, Strong SCHEMBL21219130 0.84 ALDH1A1 (0.50) ALDH1A1CYP19A1SLC13A5HSD17B10LMNA
SCHEMBL27589888 0.84 ALDH1A1 (0.50) ALDH1A1CYP19A1SLC13A5HSD17B10LMNA
SCHEMBL2169485 0.83 ALDH1A1 (0.48) ALDH1A1SLC13A5HSD17B10LMNAKDM4E
SCHEMBL28861794 0.81 ALDH1A1 (0.47) ALDH1A1SLC13A5HSD17B10LMNAKDM4E
SCHEMBL27798063 0.81 ALDH1A1 (0.47) ALDH1A1SLC13A5HSD17B10LMNAKDM4E
SCHEMBL28023748 0.80 SLC13A5 (0.56) ALDH1A1SLC13A5HSD17B10LMNAKDM4E
SCHEMBL28842730 0.79 KMT2A (0.50) ALDH1A1HSD17B10LMNAKDM4EMEN1

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-114806600-A Liquid crystal aligning agent, liquid crystal alignment film, method for producing same, and liquid crystal element JSR株式会社 2022-07-29 CN disclosed