SCHEMBL9034856

SCHEMBL9034856

CC(C)(C=O)Sc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
XBP1 P17861 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNN4 O15554 1/20 0.32
ACHE P22303 1/20 0.32
TERT O14746 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KCNK2 O95069 1/20 0.31

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
SCHEMBL809474 0.78 HPGD (0.36) HSD11B1MAPTMEN1KMT2AHTT
SCHEMBL7937564 0.75 SLC6A4 (0.45) HSD11B1MAPTMEN1KMT2AHTT
SCHEMBL23060729 0.73 ALDH1A1 (0.39) HSD11B1MAPTMEN1KMT2AHTT
SCHEMBL11799983 0.72 LMNA (0.31) HTT
SCHEMBL12227381 0.69 KDM4E (0.40) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL12824585 0.69 SLC22A12 (0.51) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL186764 0.69 RAB9A (0.42) HSD11B1MAPTMEN1KMT2AHTT
SCHEMBL7940607 0.67 ALDH1A1 (0.61) MAPTHTTNPC1RAB9ASMN1; SMN2
SCHEMBL7938138 0.66 ALDH1A1 (0.36) MAPTMEN1KMT2AHTTNPC1
SCHEMBL29254129 0.66 POLB (0.38) HSD11B1MAPTMEN1KMT2AMAPK1

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 11 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-1034120-C Pyridine derivatives ZENECA LTD (GB) 1997-02-26 CN disclosed
EP-0365328-B1 Pyridine derivatives ZENECA LTD (GB) 1996-04-03 EP 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-5053415-A Antiischemic, antiinflammatory, antiarthritic agents, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0396698-A1 MANUFACTURE OF ARYLOXYALDEHYDES. ICI PLC (GB) 1990-11-14 EP disclosed
CN-1041942-A Pyridine derivate ICI PLC (GB) 1990-05-09 CN disclosed
WO-1990004580-A1 ARYLOXYALDEHYDES AND THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-03 WO disclosed
EP-0365328-A2 Pyridine derivatives ZENECA LIMITED (GB) 1990-04-25 EP disclosed