SCHEMBL3712286

SCHEMBL3712286

Cc1ccc(S(=O)(=O)O)c(CC2COC(C)(C)O2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
CA2 P00918 2/20 0.38
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL8915566 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8915461 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL23827431 0.86 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3320313 0.84 NT5E (0.37) ALDH1A1TSHRCA2MEN1CYP3A4
SCHEMBL3320307 0.84 NT5E (0.37) ALDH1A1TSHRCA2MEN1CYP3A4
SCHEMBL3320310 0.84 NT5E (0.37) ALDH1A1TSHRCA2MEN1CYP3A4
SCHEMBL909187 0.83 KMT2A (0.38) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL537494 0.83 KMT2A (0.38) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL909752 0.83 KMT2A (0.38) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL32681961 0.79 SLC6A2 (0.37) ALDH1A1KDM4ETSHRMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386484-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS ModernaTX, Inc. (US) 2018-10-17 EP disclosed
US-9773672-B2 Method of forming micropatterns SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-09-26 US disclosed
WO-2017099823-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2017-06-15 WO disclosed
US-20160233083-A1 METHOD OF FORMING MICROPATTERNS SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-08-11 US disclosed
WO-2010083325-A1 POLYMER ELECTROLYTES HAVING ALKYLENE OXIDE PENDANTS WITH POLAR GROUPS SEEO, INC (US) 2010-07-22 WO disclosed
US-5716951-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1998-02-10 US disclosed
US-5705890-A PLATELET AGGREGATION INHIBITOR, ANTITHROMBOTIC GENENTECH, INC. (US) 1998-01-06 US disclosed
EP-0708775-B1 TRICYCLIC INHIBITORS OF THE GPII b III a RECEPTOR GENENTECH INC (US) 1997-05-28 EP disclosed
US-5493020-A ANTICOAGULANTS GENENTECH, INC. (US) 1996-02-20 US disclosed
WO-1995004057-A1 TRICYCLIC INHIBITORS OF THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1995-02-09 WO disclosed