SCHEMBL3880943

SCHEMBL3880943

CC(C)(C)OC(=O)Nc1cccc2c1CCCC(=O)C2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 2/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL25144741 0.88 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL23334164 0.85 ALDH1A1 (0.58) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL287047 0.85 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL23385619 0.83 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL30060774 0.83 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL17873261 0.76 RXFP1 (0.41) LMNAPOLBRXFP1PRMT5WDR77
SCHEMBL31546221 0.76 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL27734481 0.75 NPC1 (0.66) LMNAPOLBRXFP1PRMT5WDR77
SCHEMBL24576671 0.74 RXFP1 (0.40) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL8058887 0.74 RXFP1 (0.44) LMNAPOLBRXFP1PRMT5WDR77

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
EP-2084125-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY Universite De Haute Alsace (FR) 2009-08-05 EP disclosed
WO-2008059141-A1 AMINOBENZOCYCLOHEPTENE DERIVATIVES, METHODS FOR PREPARING THE SAME AND USES THEREOF IN THERAPY UNIVERSITE DE HAUTE ALSACE (FR) 2008-05-22 WO disclosed