SCHEMBL9387902

SCHEMBL9387902

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
RAB9A P51151 2/20 0.54
AKR1C3 P42330 1/20 0.53
ALDH1A1 P00352 3/20 0.52
HTT P42858 1/20 0.50
HTR2A P28223 1/20 0.50
MAOB P27338 1/20 0.49
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6481479 0.86 IDO1 (0.58) IDO1RAB9AAKR1C3ALDH1A1HTT
SCHEMBL11099610 0.86 IDO1 (0.58) IDO1RAB9AAKR1C3ALDH1A1HTT
SCHEMBL11419632 0.85 IDO1 (0.56) IDO1RAB9AAKR1C3ALDH1A1HTT
SCHEMBL11042629 0.84 HTR2A (0.46) IDO1RAB9AAKR1C3ALDH1A1HTT
SCHEMBL11573494 0.84 IDO1 (0.51) IDO1RAB9AAKR1C3ALDH1A1HTT
SCHEMBL11001927 0.84 IDO1 (0.56) IDO1RAB9AAKR1C3ALDH1A1HTT
SCHEMBL5445040 0.84 MAOB (0.54) IDO1RAB9AAKR1C3ALDH1A1HTT
SCHEMBL4726351 0.83 IDO1 (0.54) IDO1RAB9AAKR1C3ALDH1A1HTT
SCHEMBL10465292 0.83 MAOB (0.56) IDO1RAB9AAKR1C3ALDH1A1HTT
SCHEMBL8716892 0.83 RAB9A (0.61) IDO1RAB9AAKR1C3ALDH1A1MAPT

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
WO-1994005667-A1 CARBAPENEM DERIVATIVES AND PROCESSES FOR PREPARING THE SAME DONG-A PHARMACEUTICAL CO., LTD. (KR) 1994-03-17 WO disclosed