SCHEMBL8200907

SCHEMBL8200907

CCOc1ccccc1CCBr.[MgH2]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.56
MAPT P10636 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 4/20 0.48
ATM Q13315 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
PLEC Q15149 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.45
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 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
SCHEMBL8200895 1.00 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL8070932 0.89 L3MBTL1 (0.53) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL8070890 0.87 L3MBTL1 (0.51) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL2903189 0.86 L3MBTL1 (0.58) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL8062740 0.85 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL8062727 0.85 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL8078244 0.85 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL8071423 0.85 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL8063377 0.85 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL561755 0.83 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1ATM

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-6100293-A ANTIINFLAMMATORY AGENT EFFECTIVE IN THE PROPHYLAXIS OF ORGAN TRANSPLANT REJECTION; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-08-08 US disclosed
WO-1999020274-A1 TETRACYCLIC TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1999-04-29 WO disclosed