SCHEMBL9124269

SCHEMBL9124269

CC(=O)Oc1c(C(C)(C)C)cc(Nc2cnc(CO)cn2)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
MAPK8 P45983 1/20 0.30

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
SCHEMBL9125512 0.84 SYK (0.37) VCAM1PTGS1PTGS2ALDH1A1GAA
SCHEMBL9841876 0.81 ALDH1A1 (0.40) PTGS1PTGS2ALDH1A1GAATDP1
SCHEMBL9123205 0.79 RAB9A (0.41) GAA
SCHEMBL9122485 0.78 BACE1 (0.38) ALDH1A1GAA
SCHEMBL9831339 0.77 SYK (0.33) PTGS1PTGS2
Acetic Acid Phenyl Ester SCHEMBL9123392 0.75 MAPT (0.39) PTGS1PTGS2ALDH1A1GAATDP1
SCHEMBL9830610 0.74 WNT3A (0.39) PTGS1PTGS2TDP1MAPK8
SCHEMBL9123013 0.73 NPC1 (0.42) ALDH1A1GAATDP1NR1H4
SCHEMBL9123927 0.73 MKNK1 (0.39)
SCHEMBL9122090 0.73 ALDH1A1 (0.36) VCAM1PTGS1PTGS2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425650-A1 ANTI-INFLAMMATORY 4-AMINOPHENOL DERIVATIVES. FISONS PLC (GB) 1991-05-08 EP claimed
WO-1990014338-A1 ANTI-INFLAMMATORY 4-AMINOPHENOL DERIVATIVES FISONS PLC (GB) 1990-11-29 WO claimed
US-5428044-A Anti-inflammatory 4-aminophenyl derivatives FISONS PLC (GB) 1995-06-27 US disclosed
EP-0425650-A1 ANTI-INFLAMMATORY 4-AMINOPHENOL DERIVATIVES. FISONS PLC (GB) 1991-05-08 EP disclosed
WO-1990014338-A1 ANTI-INFLAMMATORY 4-AMINOPHENOL DERIVATIVES FISONS PLC (GB) 1990-11-29 WO disclosed