SCHEMBL8798952

SCHEMBL8798952

CCCCCCCCCCCCN/C=C1/C(=O)ON=C1C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.42
ADH1C P00326 2/20 0.42
ADH1A P07327 2/20 0.42
ADH7 P40394 2/20 0.42
EPHX1 P07099 1/20 0.42
ADH4 P08319 1/20 0.42
KMT2A Q03164 9/20 0.39
MEN1 O00255 6/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.37
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 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
SCHEMBL8798485 1.00 ADH1B (0.42) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL9528443 0.81 EPHX1 (0.39) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL9529497 0.80 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL9529501 0.80 KMT2A (0.41) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL9533245 0.78 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL9533250 0.78 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL27945031 0.73 SMN1; SMN2 (0.51) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL27945032 0.73 SMN1; SMN2 (0.51) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL1149428 0.71 SMN1; SMN2 (0.52) ADH1BADH1CADH1AADH7EPHX1
SCHEMBL17816973 0.66 ADH1B (0.44) ADH1BADH1CADH1AADH7EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532725-B1 ISOXAZOLE DERIVATIVES AS LIGHT SCREENING AGENT GIVAUDAN ROURE INT (CH) 1997-01-29 EP claimed
US-5481001-A RADIATION RESISTANT COMPOSITIONS FOR COSMETICS GIVAUDAN-ROURE CORPORATION (US) 1996-01-02 US claimed
EP-0532725-B1 ISOXAZOLE DERIVATIVES AS LIGHT SCREENING AGENT GIVAUDAN ROURE INT (CH) 1997-01-29 EP disclosed
US-5536453-A COSMETICS GIVAUDAN-ROURE CORPORATION, (US) 1996-07-16 US disclosed
US-5481001-A RADIATION RESISTANT COMPOSITIONS FOR COSMETICS GIVAUDAN-ROURE CORPORATION (US) 1996-01-02 US disclosed