SCHEMBL1304376

SCHEMBL1304376

OP(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CALM1 P0DP23 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 2/20 0.42
HPGD P15428 1/20 0.42
IDO1 P14902 2/20 0.42
THRB P10828 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
TP53 P04637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TRPA1 O75762 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL9862032 0.85 TP53 (0.46) TSHRCALM1TDP1ALDH1A1ALOX12
SCHEMBL2129272 0.82 TSHR (0.48) TSHRCALM1TDP1ALDH1A1ALOX12
SCHEMBL4878935 0.78 CES2 (0.44) TSHRCALM1TDP1ALDH1A1HPGD
SCHEMBL7602162 0.78 TSHR (0.43) TSHRCALM1TDP1ALDH1A1IDO1
SCHEMBL6443361 0.76 TSHR (0.42) TSHRCALM1TDP1ALDH1A1ALOX12
SCHEMBL196203 0.75 CALM1 (0.50) TSHRCALM1TDP1ALDH1A1ALOX12
Hydrochloric Acid SCHEMBL11804664 0.73 CALM1 (0.47) TSHRCALM1TDP1ALDH1A1ALOX12
SCHEMBL11678015 0.73 CALM1 (0.47) TSHRCALM1TDP1ALDH1A1ALOX12
Hydrochloric Acid SCHEMBL11571570 0.73 CALM1 (0.47) TSHRCALM1TDP1ALDH1A1ALOX12
SCHEMBL18425558 0.73 CALM1 (0.47) TSHRCALM1TDP1ALDH1A1ALOX12

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-7709632-B2 such as porphyrins, chlorins, texaphyrins via cyclization, oligomerization JOHNSON THOMAS E 2010-05-04 US claimed
EP-1716153-B1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2013-10-09 EP disclosed
US-20120157658-A1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2012-06-21 US disclosed
US-8053571-B2 Methods, compositions, and apparatuses for forming macrocyclic compounds JOHNSON THOMAS E 2011-11-08 US disclosed
US-20100216970-A1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E 2010-08-26 US disclosed
US-7709632-B2 such as porphyrins, chlorins, texaphyrins via cyclization, oligomerization JOHNSON THOMAS E 2010-05-04 US disclosed
EP-1716153-A4 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2008-12-17 EP disclosed
US-20070217965-A1 Methods, compositions, and apparatuses for forming macrocyclic compounds JOHNSON THOMAS E 2007-09-20 US disclosed
EP-1716153-A2 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS Johnson, Thomas E. (US) 2006-11-02 EP disclosed
WO-2006025859-A2 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2006-03-09 WO disclosed
US-5861107-A ESTER INTERCHANGE OF 1,3-PROPANEDIOL COMPOUNDS WITH CARBONIC ACID ESTERS; DISTILLATIVE DEPOLYMERIZATION; CATALYSIS WITH TITANIUM OR ZIRCONIUM COMPOUND; PHOSPHORUS OR SULFUR COMPOUND STABILIZER BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed
US-4333868-A Phosphite ester stabilizers CIBA-GEIGY CORPORATION (US) 1982-06-08 US disclosed
US-4132702-A Phenol esters and amides and polymers stabilized therewith CIBA-GEIGY CORPORATION (US) 1979-01-02 US disclosed