SCHEMBL7582347

SCHEMBL7582347

O=C(O)CC(=O)CC(O)COCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.57
CA2 P00918 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.50
FOLH1 Q04609 1/20 0.47
SLC1A1 P43005 1/20 0.46
TSHR P16473 1/20 0.45
CA4 P22748 1/20 0.44
POLB P06746 1/20 0.43
TRPA1 O75762 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
AGER Q15109 1/20 0.43

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
SCHEMBL7572323 1.00 CA1 (0.57) CA1CA2CA7CA9NPC1
SCHEMBL4836414 0.87 CA1 (0.64) CA1CA2CA7CA9NPC1
SCHEMBL4842363 0.87 CA1 (0.64) CA1CA2CA7CA9NPC1
SCHEMBL4836421 0.87 CA1 (0.64) CA1CA2CA7CA9NPC1
SCHEMBL6482683 0.82 PPARA (0.51) CA1CA2CA7CA9NPC1
SCHEMBL5829155 0.82 PPARA (0.51) CA1CA2CA7CA9NPC1
SCHEMBL3680778 0.81 CA1 (0.57) CA1CA2CA7CA9NPC1
SCHEMBL3680781 0.81 CA1 (0.57) CA1CA2CA7CA9NPC1
SCHEMBL7423196 0.81 CA1 (0.57) CA1CA2CA7CA9NPC1
SCHEMBL20530493 0.81 CA1 (0.60) CA1CA2CA7CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106419062-B A kind of the automatic lifting adjustable-angle two sides table and its working method of control based on sensory 徐州工程学院 2019-01-29 CN disclosed
CN-107915715-A A kind of synthetic method of rosuvastatin calcium side chain key intermediate 北京阜康仁生物制药科技有限公司 2018-04-17 CN disclosed
WO-2002096915-A1 PROCESS FOR PRODUCING OPTICALLY PURE Δ - HYDROXY-Β -KETOESTER DERIVATIVES SAMSUNG FINE CHEMICALS CO., LTD. (KR) 2002-12-05 WO disclosed