SCHEMBL10870293

SCHEMBL10870293

CCC(=O)CC(O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
BCAT2 O15382 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RIPK1 Q13546 1/20 0.44
AOC3 Q16853 1/20 0.44
ASAH1 Q13510 1/20 0.44
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD11B1 P28845 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
SCHEMBL8383947 1.00 LMNA (0.57) LMNAALDH1A1MAPTBCAT2TRPM8
SCHEMBL13545233 1.00 LMNA (0.57) LMNAALDH1A1MAPTBCAT2TRPM8
SCHEMBL9061130 0.87 LMNA (0.54) LMNABCAT2KDM4EL3MBTL1NPC1
SCHEMBL3413768 0.83 LMNA (0.55) LMNAALDH1A1MAPTPOLBHSD11B1
SCHEMBL14195420 0.82 LMNA (0.51) LMNAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL28316955 0.81 AOC3 (0.47) LMNAALDH1A1KDM4EAOC3
SCHEMBL27861453 0.81 AOC3 (0.47) LMNAALDH1A1KDM4EAOC3
SCHEMBL18980600 0.80 ALDH1A1 (0.50) LMNAALDH1A1MAPTRAB9APOLB
SCHEMBL5384511 0.80 KDM4E (0.50) LMNAALDH1A1BCAT2KDM4EL3MBTL1
SCHEMBL5384514 0.80 KDM4E (0.50) LMNAALDH1A1BCAT2KDM4EL3MBTL1

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
JP-61293366-A None JP disclosed
JP-61293367-A None JP disclosed
JP-S61293367-A PRODUCTION OF MUSHROOM-LIKE FLAVOR T HASEGAWA CO LTD 1986-12-24 JP disclosed
JP-S61293366-A MUSHROOM FLAVOR COMPOSITION T HASEGAWA CO LTD 1986-12-24 JP disclosed