SCHEMBL9806506

SCHEMBL9806506

CCOC(=O)N(O)Cc1cccc(Nc2ccccc2C(=O)O)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 5/20 0.50
MEN1 O00255 3/20 0.49
PTGS2 P35354 3/20 0.49
AKR1C3 P42330 3/20 0.49
KMT2A Q03164 3/20 0.49
TTR P02766 3/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
HIF1A Q16665 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
USP2 O75604 1/20 0.49
MT-CO2 P00403 1/20 0.49
PLA2G1B P04054 1/20 0.49
PGR P06401 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
AR P10275 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL9806503 0.90 CDC25B (0.47) PTGS2KMT2ALMNACYP1A2MAPT
SCHEMBL9806483 0.89 MEN1 (0.53) CLCN2MEN1PTGS2AKR1C3KMT2A
SCHEMBL9806544 0.86 CLCN2 (0.68) CLCN2MEN1PTGS2AKR1C3KMT2A
SCHEMBL9806504 0.86 CLCN2 (0.53) CLCN2MEN1PTGS2AKR1C3KMT2A
SCHEMBL9806488 0.79 CDC25B (0.49) MEN1PTGS2AKR1C3KMT2ALMNA
SCHEMBL9806505 0.77 PTGS2 (0.48) PTGS2KMT2ALMNAMAPTHPGD
SCHEMBL9806546 0.77 PTGS2 (0.60) CLCN2MEN1PTGS2AKR1C3KMT2A
SCHEMBL9806532 0.75 AKR1C3 (0.59) CLCN2MEN1PTGS2AKR1C3KMT2A
SCHEMBL9806498 0.74 PTGS2 (0.46) PTGS2KMT2ALMNAMAPTHPGD
SCHEMBL11186246 0.72 MEN1 (0.71) CLCN2MEN1PTGS2AKR1C3KMT2A

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-5017604-A Antiinflammatory WARNER-LAMBERT COMPANY (US) 1991-05-21 US disclosed