SCHEMBL2417682

SCHEMBL2417682

O=C(c1ccccc1)C1(C(=O)c2ccccc2)SS1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.48
CES2 O00748 5/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
TDP1 Q9NUW8 4/20 0.44
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
CYP2C19 P33261 2/20 0.44
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL29767713 0.71 TDP1 (0.46) CES1CES2TSHRALDH1A1DAO
SCHEMBL8463882 0.70 CES1 (0.48) CES1CES2TSHRALDH1A1DAO
SCHEMBL9767838 0.68 CES1 (0.46) CES1CES2TSHRALDH1A1DAO
SCHEMBL28539171 0.68 TDP1 (0.48) CES1CES2TSHRALDH1A1DAO
SCHEMBL11188605 0.68 CES1 (0.46) CES1CES2TSHRALDH1A1DAO
SCHEMBL11341980 0.68 CES1 (0.46) CES1CES2TSHRALDH1A1DAO
SCHEMBL27903411 0.67 CES1 (0.58) CES1CES2TSHRALDH1A1DAO
Benzophenone SCHEMBL6061130 0.66 ALDH1A1 (1.00) CES1CES2TSHRALDH1A1DAO
Benzil SCHEMBL9517636 0.66 CES2 (1.00) CES1CES2TSHRALDH1A1DAO
Benzoic Acid SCHEMBL149318 0.66 TSHR (1.00) CES1CES2TSHRALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9017573-B2 Organic-inorganic complexes containing a luminescent rare earth-metal nanocluster and an antenna ligand, luminescent articles, and methods of making luminescent compositions Batlelle Japan Corporation (JP) 2015-04-28 US disclosed
US-20110232752-A1 Organic-Inorganic Complexes Containing a Luminescent Rare earth-Metal Nanocluster and an Antenna Ligand, Luminescent Articles, and Methods of Making Luminescent Compositions BATTELLE MEMORIAL INSTITUTE (US) 2011-09-29 US disclosed
WO-2010022191-A2 Organic-Inorganic Complexes Containing a Luminescent Rare earth-Metal Nanocluster and an Antenna Ligand, Luminescent Articles, and Methods of Making Luminescent Compositions BATTELLE MEMORIAL INSTITUTE (US) 2010-02-25 WO disclosed
US-4923630-A Extractant composition THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1990-05-08 US disclosed
US-4867951-A Separation of actinides from lanthanides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1989-09-19 US disclosed
US-4389253-A Process for removing crud from ion exchange resin HITACHI, LTD. (JP) 1983-06-21 US disclosed