SCHEMBL2436612

SCHEMBL2436612

Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]43)C2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.74
ALDH1A1 P00352 1/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
HSD17B3 P37058 2/20 0.58
GRIN1 Q05586 3/20 0.57
GRIN2B Q13224 3/20 0.57
G6PD P11413 5/20 0.56
GPBAR1 Q8TDU6 4/20 0.55
LMNA P02545 3/20 0.55
CYP3A4 P08684 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SHBG P04278 2/20 0.55
SERPINA6 P08185 2/20 0.55
PMP22 Q01453 1/20 0.55
AKR1B10 O60218 1/20 0.55
AKR1B1 P15121 1/20 0.55
CYP2D6 P10635 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL2435124 1.00 MAPK1 (0.74) MAPK1ALDH1A1TP53MAPTHSD17B3
SCHEMBL2436613 1.00 MAPK1 (0.74) MAPK1ALDH1A1TP53MAPTHSD17B3
SCHEMBL14876820 1.00 MAPK1 (0.74) MAPK1ALDH1A1TP53MAPTHSD17B3
SCHEMBL10301246 1.00 MAPK1 (0.74) MAPK1ALDH1A1TP53MAPTHSD17B3
SCHEMBL2435125 1.00 MAPK1 (0.74) MAPK1ALDH1A1TP53MAPTHSD17B3
SCHEMBL16345488 1.00 MAPK1 (0.74) MAPK1ALDH1A1TP53MAPTHSD17B3
SCHEMBL8298983 0.91 MAPK1 (0.72) MAPK1ALDH1A1TP53MAPTHSD17B3
SCHEMBL17793605 0.87 MAPK1 (0.56) MAPK1ALDH1A1TP53MAPTHSD17B3
SCHEMBL16407333 0.87 MAPK1 (0.56) MAPK1ALDH1A1TP53MAPTHSD17B3
SCHEMBL7989713 0.85 MAPK1 (1.00) MAPK1ALDH1A1TP53MAPTHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9180132-B2 Antimicrobial cationic steroids and methods of use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-11-10 US disclosed
US-9056048-B2 Synthesis and use of cationic steroids for anti-inflammatory drug therapy THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-06-16 US disclosed
US-20130137668-A1 Antimicrobial Cationic Steroids and Methods of Use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-05-30 US disclosed
EP-2542245-A1 ANTIMICROBIAL CATIONIC STEREOIDS AND METHODS OF USE The Trustees Of The University Of Pennsylvania (US) 2013-01-09 EP disclosed
WO-2011109704-A1 ANTIMICROBIAL CATIONIC STEREOIDS AND METHODS OF USE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2011-09-09 WO disclosed
WO-2010062562-A1 SYNTHESIS AND USE OF CATIONIC STEROIDS FOR ANTI-INFLAMMATORY DRUG THERAPY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-03 WO disclosed
US-20090124591-A1 Synthesis and Use of Cationic Steroids for Anti-Inflammatory Drug Therapy THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2009-05-14 US disclosed
US-7442386-B2 Synthesis and use of reagents for improved DNA lipofection and/or slow release prodrug and drug therapies THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-28 US disclosed
EP-1424998-A4 SYNTHESIS AND USE OF REAGENTS FOR IMPROVED DNA LIPOFECTION AND/OR SLOW RELEASE PRODRUG AND DRUG THERAPIES UNIV PENNSYLVANIA (US) 2005-11-23 EP disclosed
US-20050069577-A1 Synthesis and use of reagents for improved DNA lipofection and/or slow release prodrug and drug therapies TRUSTEES OF UNIVERSITY OF PENNSYLVANIA 2005-03-31 US disclosed
EP-1424998-A1 SYNTHESIS AND USE OF REAGENTS FOR IMPROVED DNA LIPOFECTION AND/OR SLOW RELEASE PRODRUG AND DRUG THERAPIES The Trustees of The University of Pennsylvania (US) 2004-06-09 EP disclosed
WO-2003015757-A1 SYNTHESIS AND USE OF REAGENTS FOR IMPROVED DNA LIPOFECTION AND/OR SLOW RELEASE PRODRUG AND DRUG THERAPIES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2003-02-27 WO disclosed
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 WO disclosed