SCHEMBL8116244

SCHEMBL8116244

CCC(=O)c1ccc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.61
RAPGEF4 Q8WZA2 1/20 0.56
HTR6 P50406 7/20 0.56
HDAC1 Q13547 7/20 0.51
HDAC6 Q9UBN7 6/20 0.51
HDAC3 O15379 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 2/20 0.49
FABP4 P15090 2/20 0.46
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL1780727 0.86 RAPGEF4 (0.74) PPARGRAPGEF4HTR6HDAC1HDAC6
SCHEMBL20488722 0.86 RAPGEF4 (0.60) PPARGRAPGEF4HTR6HDAC1HDAC6
SCHEMBL23782397 0.85 PPARG (0.56) PPARGRAPGEF4HTR6HDAC1HDAC6
SCHEMBL27819639 0.85 RAPGEF4 (0.58) PPARGRAPGEF4HTR6HDAC1HDAC6
SCHEMBL28614178 0.82 RAPGEF4 (0.56) PPARGRAPGEF4HTR6HDAC1HDAC6
SCHEMBL1778140 0.82 HDAC1 (0.60) PPARGRAPGEF4HTR6HDAC1HDAC6
SCHEMBL17049351 0.82 PPARG (0.53) PPARGRAPGEF4HTR6HDAC1HDAC6
SCHEMBL1894102 0.81 HTR6 (0.61) PPARGRAPGEF4HTR6HDAC1HDAC6
SCHEMBL8121419 0.81 PPARG (0.57) PPARGRAPGEF4HTR6HDAC1HDAC6
SCHEMBL23782491 0.78 PPARG (0.55) PPARGRAPGEF4HTR6HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015444-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION, LTD. (KR) 2000-07-05 EP disclosed
EP-0554247-B1 NEUROPROTECTIVE INDOLONE AND RELATED DERIVATIVES PFIZER (US) 2000-04-26 EP disclosed
WO-1998043968-A1 NOVEL PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1998-10-08 WO disclosed
CN-1037439-C Neuroprotective indolone and related derivatives PFIZER (US) 1998-02-18 CN disclosed
US-5498610-A Neuroprotective indolone and related derivatives PFIZER INC. (US) 1996-03-12 US disclosed
US-5306723-A Neuroprotective indolone and related derivatives PFIZER INC. (US) 1994-04-26 US disclosed
EP-0554247-A1 NEUROPROTECTIVE INDOLONE AND RELATED DERIVATIVES PFIZER INC. (US) 1993-08-11 EP disclosed
CN-1056497-A Indolone and relevant derivative with neuroprotective PFIZER (US) 1991-11-27 CN disclosed
WO-1991017156-A1 NEUROPROTECTIVE INDOLONE AND RELATED DERIVATIVES PFIZER INC (US) 1991-11-14 WO disclosed