SCHEMBL8628591

SCHEMBL8628591

CCC1Oc2cccc(Oc3ccc(CCN)cc3)c2N(Cc2cccc(C(=O)OC)c2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.41
MAPT P10636 5/20 0.40
TSHR P16473 4/20 0.40
MAPK1 P28482 3/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
THRB P10828 2/20 0.39
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TRPA1 O75762 1/20 0.38
DHODH Q02127 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
ROCK2 O75116 1/20 0.36

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
SCHEMBL8632952 0.93 SIRT1 (0.41) LOXL2TSHRMAPK1LMNAL3MBTL1
SCHEMBL8631498 0.86 TSHR (0.43) MAPTTSHRMAPK1LMNAUSP2
SCHEMBL8627942 0.79 TSHR (0.43) MAPTTSHRMAPK1LMNAL3MBTL1
SCHEMBL8629030 0.77 TSHR (0.41) MAPTTSHRMAPK1LMNAL3MBTL1
SCHEMBL8632930 0.74 TSHR (0.45) MAPTTSHRMAPK1LMNAL3MBTL1
SCHEMBL18581793 0.71 THRB (0.59) MAPTTSHRMAPK1LMNAL3MBTL1
SCHEMBL8628594 0.70 TRPA1 (0.43) LOXL2MAPTL3MBTL1NPSR1POLB
SCHEMBL8635431 0.70 TP53 (0.43) MAPTTSHRMAPK1LMNAL3MBTL1
SCHEMBL7469321 0.69 TSHR (0.58) LOXL2MAPTTSHRMAPK1LMNA
SCHEMBL8628121 0.68 ALDH1A1 (0.38) MAPTTSHRMAPK1LMNAL3MBTL1

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-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed