SCHEMBL9097148

SCHEMBL9097148

CN(OC(=O)ON(C)C1CCCCC1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADH1A P07327 4/20 0.41
▸ ADH1C P00326 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ PHGDH O43175 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ADH1B P00325 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ FDPS P14324 1/20 0.33
▸ KDM4E B2RXH2 1/20 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

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
SCHEMBL6914582 0.84 ADH1A (0.40) ADH1AADH1CALDH1A1FAAHPHGDH
SCHEMBL11274665 0.79 ALDH1A1 (0.38) ADH1AADH1CALDH1A1FAAHPHGDH
SCHEMBL11181288 0.77 ALDH1A1 (0.42) ADH1AADH1CALDH1A1ATMTSHR
SCHEMBL973483 0.76 HSD11B1 (0.37) ADH1AADH1CALDH1A1PHGDHTSHR
SCHEMBL736574 0.73 — —
SCHEMBL9081393 0.73 TSHR (0.40) ADH1AADH1CALDH1A1ATMTSHR
SCHEMBL19248925 0.70 ADH1A (0.42) ADH1AADH1CALDH1A1FAAHPHGDH
Hydrochloric Acid SCHEMBL15068442 0.70 ADH1C (0.31) ADH1AADH1C
SCHEMBL15169048 0.70 FDPS (0.44) ADH1AADH1CALDH1A1FAAHPHGDH
SCHEMBL17704770 0.69 FAAH (0.52) ADH1AADH1CALDH1A1FAAHPHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537736-B1 Detergent for resin-molding mold KANEGAFUCHI CHEMICAL IND (JP) 1996-04-10 — — EP disclosed
EP-0537736-A2 Detergent for resin-molding mold KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-04-21 — — EP disclosed
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