SCHEMBL9914760

SCHEMBL9914760

CC1CC(=O)N(OC(=O)CCCCCCCCCN2C(=O)C=CC2=O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.47
PTGS2 P35354 7/20 0.47
MGLL Q99685 6/20 0.41
FAAH O00519 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSP90AA1 P07900 1/20 0.41
TLR9 Q9NR96 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR35 Q9HC97 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
SCHEMBL16489106 0.95 PTGS1 (0.39) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL23693015 0.90 ALDH1A1 (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL9914762 0.87 HTT (0.37) PTGS1PTGS2ALDH1A1HPGDHTT
SCHEMBL28663867 0.86 PTGS1 (0.48) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL208987 0.85 PRKCA (0.35) MGLLFAAHALDH1A1SMN1; SMN2GAA
SCHEMBL28667915 0.85 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL13227716 0.83 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL16863817 0.83 PTGS1 (0.45) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL20375257 0.83 FKBP1A (0.39) ALDH1A1MAPTMAPK1GAAFKBP1A
SCHEMBL4521199 0.83 PTGS1 (0.42) PTGS1PTGS2MGLLFAAHALDH1A1

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
EP-2612682-A2 Method of targeting specific cell populations using cell-binding agent maytansinoid conjugates linked via a non-cleavable linker, said conjugates, and methods of making said conjugates ImmunoGen, Inc. (US) 2013-07-10 EP disclosed
EP-2596804-A2 Method of targeting specific cell populations using cell-binding agent maytansinoid conjugates linked via a non-cleavable linker, said conjugates, and methods of making said conjugates ImmunoGen, Inc. (US) 2013-05-29 EP disclosed
EP-2596803-A2 Method of targeting specific cell populations using cell-binding agent maytansinoid conjugates linked via a non-cleavable linker, said conjugates, and methods of making said conjugates ImmunoGen, Inc. (US) 2013-05-29 EP disclosed
EP-1689846-B1 Conjugates of maytansinoid DM1 with antibody trastuzumab, linked through a non-cleavable linker, and its use in the treatment of tumours IMMUNOGEN INC (US) 2013-03-27 EP disclosed
US-8198417-B2 Potent, durable cytotoxic agents; tissue targeted therapy; tumors, autoimmune diseases, graft versus host disease, viral and parasite infections IMMUNOGEN INC. (US) 2012-06-12 US disclosed