SCHEMBL8698369

SCHEMBL8698369

COC(=O)NC(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SLC6A3 Q01959 1/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41

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
SCHEMBL3379484 0.86 PPARG (0.54) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL3379479 0.86 PPARG (0.54) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL3378444 0.84 NPC1 (0.54) ALDH1A1MAPTHPGDTDP1LMNA
SCHEMBL3378447 0.84 NPC1 (0.54) ALDH1A1MAPTHPGDTDP1LMNA
SCHEMBL4683206 0.82 MAPT (0.52) ALDH1A1MAPTHPGDTDP1LMNA
SCHEMBL6984561 0.81 ALDH1A1 (0.54) ALDH1A1MAPTHTTHPGDTDP1
SCHEMBL8854027 0.79 TSHR (0.45) ALDH1A1MAPTHPGDTDP1LMNA
SCHEMBL203326 0.79 ATM (0.60) ALDH1A1MAPTLMNAKMT2AATM
SCHEMBL193009 0.79 ATM (0.60) ALDH1A1MAPTLMNAKMT2AATM
SCHEMBL194384 0.79 ATM (0.60) ALDH1A1MAPTLMNAKMT2AATM

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
US-5804595-A ANTIINFLAMMATORY AGENT TO TREAT PAIN CAUSED BY RHEUMATOID ARTHRITIS AND LAPAROSCOPIC SURGERY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-09-08 US disclosed