SCHEMBL3383369

SCHEMBL3383369

C=C(CCCC(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
NR4A2 P43354 1/20 0.52
MAPK1 P28482 2/20 0.50
ADRA1A P35348 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL3386410 0.96 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7986401 0.89 MAOA (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3383700 0.87 NR4A2 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11050834 0.85 SMN1; SMN2 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7984999 0.84 MAOA (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14508553 0.82 NPC1 (0.55) LMNAHTTMAOAMAOB
SCHEMBL7217517 0.82 L3MBTL1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22570417 0.81 HDAC1 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
Glutarate SCHEMBL7758803 0.80 TSHR (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14404131 0.80 MAPK1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115786940-A Gamma-sulfonyl lactonization derivative and preparation method thereof 江西师范大学 2023-03-14 CN claimed
EP-1329497-B1 Utilization of unsaturated esters as perfuming ingredients FIRMENICH & CIE (CH) 2010-12-01 EP claimed
CN-115786940-A Gamma-sulfonyl lactonization derivative and preparation method thereof 江西师范大学 2023-03-14 CN disclosed
EP-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 EP disclosed