SCHEMBL11206285

SCHEMBL11206285

[CH2]C(O)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
RAB9A P51151 2/20 0.52
HTR2A P28223 1/20 0.52
AKR1C3 P42330 1/20 0.51
HTT P42858 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAOB P27338 1/20 0.48
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL9820376 0.87 IDO1 (0.56) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL9782567 0.87 IDO1 (0.56) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL9670638 0.86 IDO1 (0.56) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL29171050 0.84 HTR2A (0.59) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL11658704 0.83 IDO1 (0.51) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL8247254 0.82 HTR2A (0.60) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL6481479 0.81 IDO1 (0.58) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL37664 0.81 HTR2A (0.62) IDO1RAB9AHTR2AAKR1C3HTT
SCHEMBL11381642 0.81 TGM2 (0.55) IDO1RAB9AHTR2AAKR1C3
SCHEMBL11396185 0.80 IDO1 (0.53) IDO1RAB9AHTR2AAKR1C3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0089139-A2 Antibiotics, their preparation and use BEECHAM GROUP PLC (GB) 1983-09-21 EP disclosed