SCHEMBL2436628

SCHEMBL2436628

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 3/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
INPP5D Q92835 1/20 0.58
SRD5A1 P18405 5/20 0.57
SRD5A2 P31213 3/20 0.57
FNTA P49354 3/20 0.55
FNTB P49356 3/20 0.55
GPBAR1 Q8TDU6 1/20 0.54
CDC25A P30304 5/20 0.53
POLA1 P09884 1/20 0.53

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
SCHEMBL3123616 1.00 NPC1L1 (0.59) NPC1L1USP2LMNACYP2D6CYP2C19
SCHEMBL17817528 0.89 CYP2D6 (0.60) NPC1L1USP2LMNACYP2D6CYP2C19
SCHEMBL17817529 0.89 CYP2D6 (0.60) NPC1L1USP2LMNACYP2D6CYP2C19
SCHEMBL11327438 0.88 CYP2D6 (0.59) NPC1L1USP2LMNACYP2D6CYP2C19
SCHEMBL1689231 0.88 NPC1L1 (0.62) NPC1L1USP2LMNACYP2D6CYP2C19
SCHEMBL9580414 0.83 FNTA (0.54) NPC1L1USP2LMNACYP2D6CYP2C19
Cholestan-3-One SCHEMBL24151938 0.82 GPBAR1 (0.74) NPC1L1USP2LMNACYP2D6CYP2C19
Cholestan-3-One SCHEMBL14360529 0.82 GPBAR1 (0.74) NPC1L1USP2LMNACYP2D6CYP2C19
SCHEMBL14441614 0.82 CYP2D6 (0.62) NPC1L1USP2LMNACYP2D6CYP2C19
Cholestan-3-One SCHEMBL643015 0.82 GPBAR1 (0.74) NPC1L1USP2LMNACYP2D6CYP2C19

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 15 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
US-4097334-A Process for the preparation of androstane-3,17-dione derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1978-06-27 US disclosed