SCHEMBL8623716

SCHEMBL8623716

COc1ccc(CC(=O)CCC(C)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
F2RL1 P55085 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TP53 P04637 2/20 0.53
CYP3A4 P08684 2/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAOA P21397 1/20 0.53
SLC6A2 P23975 1/20 0.53
RAB9A P51151 1/20 0.53
SLC6A3 Q01959 1/20 0.53
CTBP2 P56545 1/20 0.50
VNN1 O95497 1/20 0.49
PKM P14618 2/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1915418 0.86 HTT (0.56) HTTF2RL1SMN1; SMN2MAPTKDM4E
SCHEMBL3628705 0.85 HTT (0.68) HTTF2RL1SMN1; SMN2MAPTKDM4E
SCHEMBL24799818 0.84 F2RL1 (0.72) F2RL1SMN1; SMN2MAPTKDM4ETP53
SCHEMBL8636964 0.84 HTT (0.58) HTTF2RL1SMN1; SMN2KDM4ETP53
SCHEMBL3280882 0.84 HTT (0.62) HTTF2RL1SMN1; SMN2MAPTKDM4E
SCHEMBL28709451 0.83 HTT (0.66) HTTF2RL1SMN1; SMN2MAPTKDM4E
SCHEMBL48525 0.83 HTT (0.66) HTTF2RL1SMN1; SMN2MAPTKDM4E
SCHEMBL6936332 0.82 HTT (0.56) HTTF2RL1SMN1; SMN2MAPTKDM4E
SCHEMBL10743710 0.81 HTT (0.54) HTTF2RL1SMN1; SMN2KDM4ELMNA
SCHEMBL8623776 0.79 L3MBTL1 (0.61) SMN1; SMN2NPC1LMNARAB9ACTBP2

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
EP-0592881-B1 Process for producing optically active gamma-hydroxyketones TAKASAGO PERFUMERY CO LTD (JP) 1998-05-20 EP disclosed
US-5349107-A Ruthenium optically active phosphine complex TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-09-20 US disclosed
EP-0592881-A2 Process for producing optically active gamma-hydroxyketones Takasago International Corporation (JP) 1994-04-20 EP disclosed