SCHEMBL9034308

SCHEMBL9034308

COc1ccccc1OC(C)(C)C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
MGLL Q99685 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR6 P50406 1/20 0.39
TLR2 O60603 1/20 0.39
ERN1 O75460 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39

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
SCHEMBL9033969 0.80 NPSR1 (0.39) ALDH1A1SMN1; SMN2TSHRNPSR1KMT2A
SCHEMBL9161422 0.78 KMT2A (0.38) ALDH1A1L3MBTL1GAASMN1; SMN2TDP1
SCHEMBL8799400 0.77 MAOB (0.39) ADRA2BKMT2ANFE2L2
SCHEMBL2737143 0.76 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL3417543 0.76 ERN1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL28460446 0.76 ADRB2 (0.41) ALDH1A1HTTMAPK1L3MBTL1SMN1; SMN2
SCHEMBL9037118 0.76 POLB (0.37) ALDH1A1L3MBTL1GAAPOLBSMN1; SMN2
SCHEMBL9034506 0.76 ADRA2A (0.38) GAASMN1; SMN2HTR6ADRA2BKMT2A
1,2-Dimethoxybenzene SCHEMBL27829075 0.75 CA1 (0.72) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL28252141 0.73 CA1 (0.68) CA1CA2CA7CA9CA12

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 9 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
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
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