SCHEMBL2748801

SCHEMBL2748801

O=C(O)[C@@H]1CCCN1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MGLL Q99685 2/20 0.49
HTT P42858 1/20 0.49
FAAH O00519 2/20 0.48
PABPC1 P11940 1/20 0.47
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL27727100 0.84 CYP1A2 (0.56) ALDH1A1SMN1; SMN2CYP1A2CYP2D6MGLL
SCHEMBL2747664 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPK1KDM4EHTT
SCHEMBL5259296 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPK1KDM4EHTT
SCHEMBL1697463 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPK1KDM4EHTT
SCHEMBL11424044 0.82 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2CYP1A2MAPK1KDM4E
SCHEMBL15962164 0.81 CA2 (0.64) ALDH1A1SMN1; SMN2HTTPOLBNPSR1
SCHEMBL6216080 0.81 PREP (0.54) ALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL8110544 0.81 PREP (0.54) ALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL10706625 0.80 CYP1A2 (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP2D6KDM4E
SCHEMBL29068350 0.80 CYP1A2 (0.57) ALDH1A1SMN1; SMN2CYP1A2CYP2D6MGLL

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