SCHEMBL2915470

SCHEMBL2915470

CCOCCOCCC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.63
▸ PKM P14618 3/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ABL1 P00519 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ IDE P14735 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ RIN1 Q13671 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ HLCS P50747 6/20 0.58
▸ F2 P00734 1/20 0.57
▸ PRSS1 P07477 1/20 0.57
▸ PRSS2 P07478 1/20 0.57
▸ PRSS3 P35030 1/20 0.57
▸ TPSAB1 Q15661 1/20 0.57
▸ FOLH1 Q04609 3/20 0.49
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46

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
SCHEMBL25982120 0.93 TDP1 (0.65) TDP1PKMMEN1ABL1LMNA
SCHEMBL19803917 0.87 TDP1 (0.72) TDP1PKMMEN1ABL1LMNA
SCHEMBL26345911 0.86 PRSS1 (0.73) TDP1PKMMEN1ABL1LMNA
SCHEMBL1328284 0.85 TDP1 (0.58) TDP1PKMMEN1ABL1LMNA
SCHEMBL15281582 0.85 F2 (0.76) TDP1PKMMEN1ABL1LMNA
SCHEMBL12965054 0.85 F2 (0.76) TDP1PKMMEN1ABL1LMNA
SCHEMBL26709365 0.85 F2 (0.76) TDP1PKMMEN1ABL1LMNA
SCHEMBL15987009 0.85 F2 (0.76) TDP1PKMMEN1ABL1LMNA
SCHEMBL12043072 0.85 F2 (0.76) TDP1PKMMEN1ABL1LMNA
SCHEMBL26702432 0.85 F2 (0.76) TDP1PKMMEN1ABL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104529711-A Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds UNIV GEORGIA 2015-04-22 — — CN disclosed
CN-101925366-B Alkynes and methods of reacting alkynes with 1, 3-dipole-functional compounds UNIV GEORGIA 2015-02-04 — — CN disclosed
EP-2222341-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS University Of Georgia Research Foundation, Inc. (US) 2010-09-01 — — EP disclosed
WO-2009067663-A1 ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2009-05-28 — — WO disclosed
EP-0944820-A4 MULTI-ARRAY, MULTI-SPECIFIC ELECTROCHEMILUMINESCENT TESTING MESO SCALE TECHNOLOGIES LLC (US) 2000-04-26 — — EP disclosed
EP-0944820-A1 MULTI-ARRAY, MULTI-SPECIFIC ELECTROCHEMILUMINESCENT TESTING Meso Scale Technologies, LLC. (US) 1999-09-29 — — EP disclosed
WO-1998012539-A1 MULTI-ARRAY, MULTI-SPECIFIC ELECTROCHEMILUMINESCENCE TESTING MESO SCALE TECHNOLOGIES, LLC (US) 1998-03-26 — — WO disclosed
Send feedback