SCHEMBL8086196

SCHEMBL8086196

CC1O[C@H](c2ccccc2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SIRT1 Q96EB6 7/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CA2 P00918 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAB9A P51151 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL2533982 1.00 MAOA (0.42) MAOAMEN1KMT2ALMNAPOLB
SCHEMBL28157735 0.79 MEN1 (0.47) MAOAMEN1KMT2ALMNAPOLB
SCHEMBL8581789 0.78 ALDH1A1 (0.46) MEN1KMT2ALMNAPOLBCYP2C19
SCHEMBL6992842 0.72 MAOA (0.33) MAOAMEN1KMT2ALMNAPOLB
SCHEMBL7646016 0.72 ALDH1A1 (0.44) MAOAMEN1KMT2ALMNAPOLB
SCHEMBL7641536 0.72 ALDH1A1 (0.44) MAOAMEN1KMT2ALMNAPOLB
SCHEMBL979938 0.72 ALDH1A1 (0.44) MAOAMEN1KMT2ALMNAPOLB
SCHEMBL5510838 0.72 MEN1 (0.35) MEN1KMT2ALMNAPOLBSIRT1
SCHEMBL14447063 0.72 MEN1 (0.38) MEN1KMT2ALMNAPOLBCYP2C19
SCHEMBL31634550 0.72 ALDH1A1 (0.47) KMT2APOLBCYP2C19NPSR1ALDH1A1

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
US-6166074-A Pharmaceutical compositions NORSK HYDRO A.S. (NO) 2000-12-26 US claimed
US-6166074-A Pharmaceutical compositions NORSK HYDRO A.S. (NO) 2000-12-26 US disclosed