SCHEMBL9251968

SCHEMBL9251968

CC1(CCc2ccccc2)CC(=O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
BACE1 P56817 3/20 0.43
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CREBBP Q92793 1/20 0.38
MMP13 P45452 1/20 0.37

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
SCHEMBL9823907 0.78 TSHR (0.41) TSHRNPSR1
SCHEMBL14660479 0.75 TSHR (0.52) TSHRNPSR1LMNA
SCHEMBL9252966 0.74 TSHR (0.41) TSHRNPSR1
SCHEMBL9011515 0.72 TSHR (0.69) TSHRNPSR1LMNA
SCHEMBL1566072 0.72 TSHR (0.69) TSHRNPSR1LMNA
SCHEMBL22914872 0.71 GAA (0.43) BACE1ATMGAAL3MBTL1LMNA
SCHEMBL22015030 0.69 GAA (0.48) TSHRBACE1ATMGAAL3MBTL1
SCHEMBL9824399 0.68 TSHR (0.57) TSHRNPSR1LMNA
SCHEMBL9823939 0.68 TSHR (0.57) TSHRNPSR1LMNA
SCHEMBL9824431 0.68 TSHR (0.57) TSHRNPSR1LMNA

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
US-5391740-A Monitoring therapeutic drug concentration in serum and plasma ABBOTT LABORATORIES (US) 1995-02-21 US disclosed
US-4952691-A FOR BODY FLUIDS ABBOTT LABORATORIES (US) 1990-08-28 US disclosed
US-4585862-A MEDICAL DIAGNOSIS ABBOTT LABORATORIES (US) 1986-04-29 US disclosed