SCHEMBL8375374

SCHEMBL8375374

O=[C]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
HTT P42858 1/20 0.50
HTR2A P28223 1/20 0.50
ALDH1A1 P00352 2/20 0.49
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
SCHEMBL10914080 0.85 IDO1 (0.53) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL11099610 0.83 IDO1 (0.58) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL37664 0.82 HTR2A (0.62) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL11419632 0.81 IDO1 (0.56) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL6399778 0.81 IDO1 (0.59) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL37665 0.81 AKR1C3 (0.62) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL11419629 0.81 HTR2A (0.54) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL10465292 0.80 MAOB (0.56) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL9387902 0.80 IDO1 (0.54) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL4726351 0.80 IDO1 (0.54) IDO1RAB9AAKR1C3HTTHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376218-B1 Racemization free attachment of amino acids to solid phase PERSEPTIVE BIOSYSTEMS INC (US) 1999-02-24 EP claimed
US-5371210-A Reacting alpha anomer enriched 2-deoxy-2,2-difluorocarbo-hydrate with nucleobase ELI LILLY AND COMPANY (US) 1994-12-06 US claimed
US-5187270-A Solid phase synthesis of peptides using the reaction product of an N-protected amino acid and a 2,4-dichlorophenyl (4-halo methylphenoxy)acetate; efficiency; purity; kinetics MILLIPORE CORPORATION (US) 1993-02-16 US claimed
EP-0376218-A2 Racemization free attachment of amino acids to solid phase PERSEPTIVE BIOSYSTEMS, INC. (US) 1990-07-04 EP claimed
CN-1681781-A Novel indoline compound and medicinal use thereof KYOTO PHARMA IND (JP) 2005-10-12 CN disclosed
EP-0376218-B1 Racemization free attachment of amino acids to solid phase PERSEPTIVE BIOSYSTEMS INC (US) 1999-02-24 EP disclosed
US-5187270-A Solid phase synthesis of peptides using the reaction product of an N-protected amino acid and a 2,4-dichlorophenyl (4-halo methylphenoxy)acetate; efficiency; purity; kinetics MILLIPORE CORPORATION (US) 1993-02-16 US disclosed
EP-0376218-A2 Racemization free attachment of amino acids to solid phase PERSEPTIVE BIOSYSTEMS, INC. (US) 1990-07-04 EP disclosed