SCHEMBL9165045

SCHEMBL9165045

CC(C)(C=O)Oc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RORC P51449 3/20 0.35
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
PPARA Q07869 2/20 0.34
SOS1 Q07889 1/20 0.33
HSPB1 P04792 1/20 0.33
LMNA P02545 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL25219752 0.82 CA1 (0.44) ALDH1A1PPARATRPV1
SCHEMBL7707133 0.82 NFE2L2 (0.38) NFE2L2GAAALDH1A1L3MBTL1RORC
SCHEMBL9035012 0.81 CA1 (0.47) ALDH1A1L3MBTL1SMN1; SMN2NPC1MAPT
SCHEMBL9035478 0.81 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1RAB9ALMNA
SCHEMBL13802159 0.81 ACHE (0.41) ALDH1A1L3MBTL1KMT2AMEN1MAPT
SCHEMBL1889507 0.79 MEN1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL3496791 0.79 PPARA (0.53) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL9162969 0.79 SOS1 (0.38) NFE2L2ALDH1A1L3MBTL1MAPTHTT
SCHEMBL6210928 0.78 CA4 (0.39) GAAALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL9163039 0.77 NFE2L2 (0.41) NFE2L2ALDH1A1NPC1RAB9APPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396698-A1 MANUFACTURE OF ARYLOXYALDEHYDES. ICI PLC (GB) 1990-11-14 EP claimed
WO-1990004580-A1 ARYLOXYALDEHYDES AND THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-03 WO claimed
CN-1040753-C Pyridine derivatives and the preparation thereof ICI PLC (GB) 1998-11-18 CN disclosed
US-5401849-A FOR ANTAGONIZING THE ACTIONS OF, AND INHIBITING THE SYNTHESIS OF, THROMBOXANE A2 ZENECA LIMITED (GB) 1995-03-28 US disclosed
EP-0329360-B1 Pyridine derivatives ICI PLC (GB) 1994-08-03 EP disclosed
US-5248780-A Thromboxane inhibitors IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1993-09-28 US disclosed
EP-0396698-B1 MANUFACTURE OF ARYLOXYALDEHYDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-23 EP disclosed
US-5169974-A Process for manufacturing aryloxyaldehydes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-08 US disclosed
US-5166213-A Antiischemic agents, cardiovascular disorders, antiasthmatics or antiinflammatory agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-24 US disclosed
EP-0396698-A1 MANUFACTURE OF ARYLOXYALDEHYDES. ICI PLC (GB) 1990-11-14 EP disclosed
WO-1990004580-A1 ARYLOXYALDEHYDES AND THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-03 WO disclosed
CN-1035115-A Pyridine derivate and preparation method thereof ICI PLC (GB) 1989-08-30 CN disclosed
EP-0329360-A2 Pyridine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-23 EP disclosed