SCHEMBL5547582

SCHEMBL5547582

O=C(/C=C/C(=O)ON(C1CCCCC1)C1CCCCC1)ON(C1CCCCC1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADH1A P07327 7/20 0.37
▸ ADH1C P00326 5/20 0.35
▸ TRPM8 Q7Z2W7 3/20 0.34
▸ HSD11B1 P28845 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ ADH4 P08319 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ ADH1B P00325 1/20 0.32
▸ FDPS P14324 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MITF O75030 1/20 0.32

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
SCHEMBL973483 0.79 HSD11B1 (0.37) ADH1AADH1CHSD11B1ALDH1A1ADH4
SCHEMBL7707572 0.76 TSHR (0.39) ADH1AADH1CHSD11B1ALDH1A1KDM4E
SCHEMBL6932731 0.76 HSD11B1 (0.39) ADH1AADH1CHSD11B1ALDH1A1KDM4E
SCHEMBL11135152 0.76 HSD11B1 (0.35) ADH1AADH1CHSD11B1ALDH1A1KDM4E
SCHEMBL28490982 0.74 LMNA (0.40) ADH1AADH1CHSD11B1ALDH1A1KDM4E
SCHEMBL28949799 0.71 HSD11B1 (0.35) ADH1AHSD11B1ALDH1A1KDM4EMEN1
SCHEMBL4646285 0.67 EPHX1 (0.38) ADH1AADH1CTRPM8
SCHEMBL28908736 0.67 PHGDH (0.40) HSD11B1ALDH1A1LMNA
SCHEMBL16099215 0.66 NAAA (0.39) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL10579327 0.66 ALOX5 (0.33) HSD11B1ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220294-B2 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2007-05-22 — — US claimed
US-20040230084-A1 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2004-11-18 — — US claimed
EP-1428831-A1 METHOD OF STORING HYDROGEN, HYDROGEN INCLUSION COMPOUND AND PROCESS FOR PRODUCING THE SAME KURITA WATER INDUSTRIES LTD. (JP) 2004-06-16 — — EP claimed
US-7220294-B2 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2007-05-22 — — US disclosed
US-20040230084-A1 Forming ambient pressure and temperature, lightweight, transportable power source; contacting gas with organic compound in pressurized state KURITA WATER INDUSTRIES LTD. (JP) 2004-11-18 — — US disclosed
EP-1428831-A1 METHOD OF STORING HYDROGEN, HYDROGEN INCLUSION COMPOUND AND PROCESS FOR PRODUCING THE SAME KURITA WATER INDUSTRIES LTD. (JP) 2004-06-16 — — EP disclosed
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