SCHEMBL11630236

SCHEMBL11630236

O=[C]CC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 2/20 0.51
MITF O75030 1/20 0.51
HTT P42858 1/20 0.51
GFER P55789 1/20 0.51
PAX8 Q06710 1/20 0.51
ATM Q13315 1/20 0.51
CYP1A1 P04798 1/20 0.48
CYP19A1 P11511 1/20 0.48
PTPN1 P18031 6/20 0.44
ALKBH5 Q6P6C2 1/20 0.43
MDM2 Q00987 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6843230 0.85 NTSR1 (0.52) LMNACES2CES1HSD17B10MDM2
SCHEMBL6202553 0.84 LMNA (0.50) LMNACES2CES1L3MBTL1TDP1
SCHEMBL28408396 0.82 CYP2C19 (0.53) LMNACES2CES1ALDH1A1SMN1; SMN2
SCHEMBL7580361 0.80 L3MBTL1 (0.59) LMNACES2CES1L3MBTL1TDP1
SCHEMBL9903761 0.79 L3MBTL1 (0.57) LMNACES2CES1L3MBTL1TDP1
SCHEMBL5601491 0.77 ALDH1A1 (0.48) LMNACES2CES1L3MBTL1TDP1
SCHEMBL23457200 0.77 L3MBTL1 (0.55) LMNACES2CES1L3MBTL1TDP1
SCHEMBL50454 0.77 LMNA (0.80) LMNACES2CES1L3MBTL1TDP1
SCHEMBL10833647 0.77 L3MBTL1 (0.55) LMNACES2CES1L3MBTL1TDP1
SCHEMBL8859212 0.77 L3MBTL1 (0.55) LMNACES2CES1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4087426-A Oxybisberberine and a process for its production RESEARCH CORPORATION (US) 1978-05-02 US claimed