SCHEMBL28357797

SCHEMBL28357797

C=CC(=O)Oc1cccc2ccccc12.[Fe]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HSD17B10 Q99714 3/20 0.54
GAA P10253 2/20 0.54
PGR P06401 1/20 0.54
PTGS1 P23219 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TYMS P04818 1/20 0.50
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MMP2 P08253 1/20 0.47
FABP7 O15540 3/20 0.46
FABP3 P05413 3/20 0.46
FABP5 Q01469 3/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL68437 0.98 ALDH1A1 (0.56) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL29374139 0.98 ALDH1A1 (0.56) ALDH1A1HSD17B10GAAPGRPTGS1
Acrylic Acid SCHEMBL31541850 0.93 ALDH1A1 (0.51) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL29617395 0.90 TYMS (0.48) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL69482 0.90 TYMS (0.48) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL29733303 0.90 TYMS (0.48) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL31107522 0.89 HSD17B10 (0.48) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL1508109 0.87 TYMS (0.56) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL30342255 0.87 TYMS (0.56) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL2111828 0.85 TYMS (0.50) ALDH1A1HSD17B10GAAPGRPTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110790535-B Maintenance method of asphalt road 广东高翔建设有限公司 2021-07-06 CN disclosed
CN-110790535-A Maintenance method of asphalt road 广东高翔建设有限公司 2020-02-14 CN disclosed