SCHEMBL2376039

SCHEMBL2376039

CCC(C)C1C(=O)NC(=O)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4C Q9H3R0 1/20 0.37
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 1/20 0.34
GABRB3 P28472 1/20 0.34
OPRD1 P41143 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
PKM P14618 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
FFAR3 O14843 1/20 0.30
MMP9 P14780 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL17536132 0.98 HSD17B10 (0.38) HSD17B10LMNAALDH1A1KDM4CTSHR
SCHEMBL8614546 0.83 ALDH1A1 (0.44) HSD17B10LMNAALDH1A1KDM4CTSHR
SCHEMBL17294176 0.81 ALDH1A1 (0.43) HSD17B10LMNAALDH1A1KDM4CTSHR
SCHEMBL21292107 0.80 ALDH1A1 (0.36) HSD17B10LMNAALDH1A1KDM4CTSHR
SCHEMBL21292112 0.78 HSD17B10 (0.37) HSD17B10LMNAALDH1A1KDM4CTSHR
SCHEMBL6381411 0.77 LMNA (0.42) HSD17B10LMNAALDH1A1KDM4ECYP3A4
SCHEMBL642543 0.75 TSHR (0.40) HSD17B10LMNAALDH1A1KDM4CTSHR
SCHEMBL4779166 0.75 HSD17B10 (0.35) HSD17B10LMNAALDH1A1KDM4CTSHR
SCHEMBL6534645 0.74 KDM4E (0.42) HSD17B10LMNAALDH1A1TSHRKDM4E
SCHEMBL6534635 0.74 KDM4E (0.42) HSD17B10LMNAALDH1A1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853297-B2 Method and means for infiltrating enamel lesions CHARITE UNIVERSITATSMEDIZIN BERLIN (DE) 2014-10-07 US claimed
US-20090304622-A1 METHOD AND MEANS FOR INFILTRATING ENAMEL LESIONS CHARITE-UNIVERSITATSMEDIZIN BERLIN (DE) 2009-12-10 US claimed
WO-2020032268-A1 SULFUR-CONTAINING POLYMERIZABLE MONOMER AND USE THEREOF サンメディカル株式会社 2020-02-13 WO disclosed
US-9855195-B2 Dental curable composition KABUSHIKI KAISHA SHOFU (JP) 2018-01-02 US disclosed
US-20170079890-A1 DENTAL CURABLE COMPOSITION KABUSHIKI KAISHA SHOFU (JP) 2017-03-23 US disclosed
EP-2476404-B1 Method, means and kit for infiltrating enamel lesions CHARITÉ UNIVERSITÄTSMEDIZIN BERLIN (DE) 2017-03-22 EP disclosed
EP-2023884-B1 METHOD AND MEANS FOR INFILTRATING ENAMEL LESIONS CHARITÉ UNIVERSITÄTSMEDIZIN BERLIN (DE) 2017-03-22 EP disclosed
US-8853297-B2 Method and means for infiltrating enamel lesions CHARITE UNIVERSITATSMEDIZIN BERLIN (DE) 2014-10-07 US disclosed
EP-2476404-A1 Method, means and kit for infiltrating enamel lesions Charité Universitätsmedizin Berlin (DE) 2012-07-18 EP disclosed
US-8012958-B2 Modulate gene expression of gamma-aminobutyric acid receptors ; antidepressants; psychological disorders; obsessive compulsive disorders ; eating disorders Hythlam, Inc. (US) 2011-09-06 US disclosed
US-20090304622-A1 METHOD AND MEANS FOR INFILTRATING ENAMEL LESIONS CHARITE-UNIVERSITATSMEDIZIN BERLIN (DE) 2009-12-10 US disclosed
US-20080280885-A1 Methods for Treating Anxiety Related Disorders HYTHIAM, INC. (US) 2008-11-13 US disclosed
US-20080255097-A1 Methods for the Treatment of Substance Abuse and Dependence HYTHIAM, INC. (US) 2008-10-16 US disclosed
US-20080207601-A1 Methods of and Compositions For the Prevention of Anxiety, Substance Abuse, and Dependence HYTHIAM , INC. (US) 2008-08-28 US disclosed
US-6472227-B1 A FLUORESCEIN MOIETY IS INCLUDED IN THE TRACER, WHILE A POLY(AMINO ACID) FORMS A PART OF THE IMMUNOGEN FOR DETERMINING THE AMOUNT OF BARBITURATE IN FLUIDS, ESPECIALLY BIOLOGICAL FLUIDS SUCH AS SERUM, PLASMA OR URINE ABBOTT LABORATORIES 2002-10-29 US disclosed
EP-0457213-B1 Barbiturate assay, tracers, immunogens, antibodies and kit ABBOTT LAB (US) 1997-07-23 EP disclosed
EP-0457213-A2 Barbiturate assay, tracers, immunogens, antibodies and kit ABBOTT LABORATORIES (US) 1991-11-21 EP disclosed
EP-0373508-A2 Barbiturate assay, tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1990-06-20 EP disclosed