SCHEMBL6708232

SCHEMBL6708232

Cc1onc(-c2ccc(OCCC(=O)O)cc2)c1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.45
POLB P06746 4/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 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
SCHEMBL7767328 0.86 ATM (0.58) ATML3MBTL1TDP1POLBTSHR
SCHEMBL12263825 0.81 KMT2A (0.62) ATML3MBTL1TDP1NPC1POLB
SCHEMBL6705840 0.80 POLB (0.51) ATML3MBTL1TDP1NPC1POLB
SCHEMBL12310937 0.80 CYP2C9 (0.49) ATML3MBTL1TDP1NPC1POLB
SCHEMBL12263823 0.79 ATM (0.45) ATML3MBTL1TDP1POLBTSHR
SCHEMBL6705858 0.78 KMT2A (0.49) ATML3MBTL1TDP1NPC1POLB
SCHEMBL12899997 0.75 CYP2C9 (0.46) ATML3MBTL1TDP1NPC1POLB
SCHEMBL6709729 0.74 MEN1 (0.51) ATMTDP1POLBTSHRALOX15
SCHEMBL6707875 0.72 MAPT (0.42) ATML3MBTL1TDP1NPC1MAPT
SCHEMBL6707000 0.72 MAPT (0.42) ATML3MBTL1TDP1NPC1MAPT

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-20040157262-A1 Conjugates of haptens to beta-lactam derivatives and their use for detecting and/or quantifying haptens in solution and device for implementation thereof KOHL MICHEL (BE) 2004-08-12 US disclosed
US-20030235877-A1 Conjugates of haptens to beta-lactam derivatives and their use for detecting and/or quantifying haptens in solution and device for implementation thereof LA REGION WALLONE (BE) 2003-12-25 US disclosed
US-6436649-B1 COMPETITIVE BINDING WITH ANTI-HAPTEN ANTIBODY IN SOLUTION CONTAINING REPORTER MOLECULE SUBSTRATE; ADDING B-LACTAMASE QUANTITATIVE ANALYSIS USING VISIBLE OR ULTRAVIOLET RADIATION LE REGION WALLONE (BE) 2002-08-20 US disclosed