SCHEMBL9727555

SCHEMBL9727555

CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
EPHX1 P07099 3/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
CASP2 P42575 1/20 0.45
CYP3A4 P08684 1/20 0.44
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
EPHX2 P34913 2/20 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
SCHEMBL9727412 1.00 TDP1 (0.59) TDP1EPHX1MAOAMAOBCA12
SCHEMBL8870596 1.00 TDP1 (0.59) TDP1EPHX1MAOAMAOBCA12
SCHEMBL9764492 1.00 TDP1 (0.59) TDP1EPHX1MAOAMAOBCA12
SCHEMBL8877682 0.94 TDP1 (0.67) TDP1EPHX1MAOAMAOBCA12
SCHEMBL9764488 0.94 TDP1 (0.67) TDP1EPHX1MAOAMAOBCA12
SCHEMBL9727547 0.94 TDP1 (0.67) TDP1EPHX1MAOAMAOBCA12
SCHEMBL9727403 0.94 TDP1 (0.67) TDP1EPHX1MAOAMAOBCA12
SCHEMBL29105238 0.92 TDP1 (0.65) TDP1MAOAMAOBCA12CA1
SCHEMBL25319217 0.89 TDP1 (0.73) TDP1EPHX1MAOAMAOBCA12
SCHEMBL16436993 0.89 TDP1 (0.73) TDP1EPHX1MAOAMAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171837-A Treatment of autoimmune diseases KURARAY CO., LTD. (JP) 1992-12-15 US disclosed
US-5132402-A Immobilized peptide which binds to human antibody to nicotinic acetylcholine receptor AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1992-07-21 US disclosed
EP-0426857-A1 PEPTIDE AND ADSORBENT COMPRISING SAME IMMOBILIZED ON CARRIER KURARAY CO., LTD. (JP) 1991-05-15 EP disclosed
US-4889917-A TREATMENT OF MYASTHENIA GRAVIS AGENCY OF INDUSTRIAL SCIENCE TECHNOLOGY, MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 1989-12-26 US disclosed
EP-0318240-A2 Peptide, adsorbent, method for production thereof, and method for use thereof AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MINISTRY OF INTERNATIONAL TRADE & INDUSTRY (JP) 1989-05-31 EP disclosed