SCHEMBL5728700

SCHEMBL5728700

CC(=O)C(C)(C)COc1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 1/20 0.39
PTGER4 P35408 1/20 0.39
NR4A2 P43354 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
ELANE P08246 1/20 0.39
MAOB P27338 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.37
MAP4K4 O95819 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5729506 0.85 MAOB (0.40) PPARAPPARGNR4A2RXRARXRB
SCHEMBL27996354 0.81 PPARA (0.50) PPARAPPARGMEN1KMT2ALTA4H
SCHEMBL10390840 0.81 SSTR4 (0.52) PPARAPPARGMEN1KMT2ANR4A2
SCHEMBL10556663 0.81 SSTR4 (0.52) MEN1KMT2ANR4A2MAOBSMN1; SMN2
SCHEMBL934363 0.81 MAOB (0.49) MEN1KMT2ARXRARXRBMAOB
SCHEMBL20767121 0.78 PPARA (0.49) PPARAPPARGMEN1KMT2ALTA4H
SCHEMBL9279032 0.78 MRGPRX4 (0.45) MEN1KMT2APTGER4MAOBSMN1; SMN2
SCHEMBL3177629 0.76 MAOB (0.48) PPARAPPARGMEN1KMT2ALTA4H
SCHEMBL20049402 0.75 LTA4H (0.48) PPARAPPARGMEN1KMT2ALTA4H
SCHEMBL1628333 0.74 MEN1 (0.51) PPARAPPARGMEN1KMT2ALTA4H

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-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed