SCHEMBL6188978

SCHEMBL6188978

CCCNC(=O)C(C)(O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CNR1 P21554 3/20 0.49
CNR2 P34972 3/20 0.49
POLB P06746 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL13255792 0.86 HDAC3 (0.47) LMNAHTTL3MBTL1CNR1CNR2
SCHEMBL6435539 0.84 CNR1 (0.67) LMNAHTTL3MBTL1CNR1CNR2
SCHEMBL20077094 0.84 LMNA (0.53) LMNAHTTL3MBTL1CNR1CNR2
SCHEMBL13630893 0.80 POLB (0.61) LMNAPOLBALDH1A1KMT2ATDP1
SCHEMBL20068687 0.79 LMNA (0.51) LMNAHTTL3MBTL1CNR1CNR2
SCHEMBL13319026 0.78 LMNA (0.50) LMNAHTTL3MBTL1CNR1CNR2
SCHEMBL5744739 0.76 HDAC3 (0.52) LMNAHTTL3MBTL1CNR1CNR2
Butane SCHEMBL27554529 0.76 MAPT (0.50) LMNAHTTL3MBTL1POLBHDAC3
SCHEMBL6323263 0.76 LMNA (0.48) LMNAHTTL3MBTL1POLBHDAC3
SCHEMBL6431976 0.75 CNR1 (0.63) LMNAHTTL3MBTL1CNR1CNR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804437-B1 [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USES THEREOF MERCKLE GMBH (DE) 2005-09-14 EP disclosed
US-5939415-A A!-annellated pyrrole derivatives and their use in pharmacology MERCKLE GMBH (DE) 1999-08-17 US disclosed
EP-0804437-A1 [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USES THEREOF MERCKLE GMBH (DE) 1997-11-05 EP disclosed
WO-1995032971-A1 [a]-ANNELATED PYRROLE DERIVATIVES AND PHARMACEUTICAL USES THEREOF MERCKLE GMBH (DE) 1995-12-07 WO disclosed