SCHEMBL7976961

SCHEMBL7976961

CCOC(=O)[C@H](C)Oc1ccc2cc(Br)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
LMNA P02545 3/20 0.51
KMT2A Q03164 3/20 0.49
NCEH1 Q6PIU2 1/20 0.48
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
ALDH2 P05091 1/20 0.43
EPHX2 P34913 2/20 0.43
POLB P06746 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL27273681 0.97 L3MBTL1 (0.49) L3MBTL1LMNAKMT2ANCEH1GAA
SCHEMBL31053227 0.87 LMNA (0.60) L3MBTL1LMNAKMT2AGAAMEN1
SCHEMBL10979352 0.87 LMNA (0.60) L3MBTL1LMNAKMT2AGAAMEN1
SCHEMBL3993398 0.84 LMNA (0.61) L3MBTL1LMNAKMT2AGAAMEN1
SCHEMBL5118416 0.83 L3MBTL1 (0.52) L3MBTL1LMNAKMT2AGAAMEN1
SCHEMBL11158149 0.83 LMNA (0.56) L3MBTL1LMNAKMT2AGAAMEN1
SCHEMBL10916449 0.83 L3MBTL1 (0.43) L3MBTL1LMNAKMT2AGAAMEN1
SCHEMBL7821372 0.81 TDP1 (0.57) L3MBTL1LMNANCEH1GAATDP1
SCHEMBL31274977 0.80 L3MBTL1 (0.52) L3MBTL1LMNAKMT2AGAAMEN1
SCHEMBL10963427 0.79 KMT2A (0.49) L3MBTL1LMNAKMT2AGAAMEN1

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-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed