SCHEMBL2747500

SCHEMBL2747500

CC(C)C[C@H](NC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.51
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
GAA P10253 2/20 0.46
CTSL P07711 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR2A P28223 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
4-Nitrophenyl Acetate SCHEMBL7325115 0.85 CTSL (0.61) CTSL
SCHEMBL6624647 0.84 MAPT (0.59) MGLLALDH1A1POLBKMT2ABCL9
SCHEMBL20631080 0.84 MAPT (0.59) MGLLALDH1A1POLBKMT2ABCL9
SCHEMBL3398263 0.82 MGLL (0.62) MGLLALDH1A1KMT2ABCL9CTNNB1
SCHEMBL29935494 0.82 MGLL (0.49) MGLLALDH1A1KMT2ABCL9CTNNB1
SCHEMBL29935348 0.82 MGLL (0.57) MGLLALDH1A1KMT2ABCL9CTNNB1
SCHEMBL1835975 0.82 MME (0.52) ALDH1A1GAA
SCHEMBL5258106 0.82 MME (0.52) ALDH1A1GAA
SCHEMBL8477195 0.82 FOLH1 (0.50) MGLLBCL9CTNNB1PPARGPPARA
SCHEMBL26915268 0.82 FOLH1 (0.50) MGLLBCL9CTNNB1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178641-B2 Amino group-containing conjugated diene polymer and method for producing the same, and block copolymer and method for producing the same JSR CORPORATION (JP) 2012-05-15 US disclosed
US-20100267918-A1 AMINO GROUP-CONTAINING CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING THE SAME, AND BLOCK COPOLYMER AND METHOD FOR PRODUCING THE SAME JSR CORPORATION (JP) 2010-10-21 US disclosed