SCHEMBL9403218

SCHEMBL9403218

O=CC1CCCCCCCCC1CO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ADH1B P00325 2/20 0.31
ADH1C P00326 2/20 0.31
ADH1A P07327 2/20 0.31
ADH4 P08319 2/20 0.31
ADH7 P40394 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
SCHEMBL8955054 1.00 TDP1 (0.36) TDP1PABPC1APOBEC3AAPOBEC3GADH1B
SCHEMBL14639634 0.98 TDP1 (0.38) TDP1PABPC1APOBEC3AAPOBEC3G
SCHEMBL14639886 0.98 TDP1 (0.38) TDP1PABPC1APOBEC3AAPOBEC3G
SCHEMBL29233250 0.93
SCHEMBL24755238 0.77
SCHEMBL12805840 0.76 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14639737 0.74 TDP1 (0.38) TDP1PABPC1APOBEC3AAPOBEC3G
SCHEMBL7336141 0.74 TDP1 (0.38) TDP1PABPC1APOBEC3AAPOBEC3G
SCHEMBL14724781 0.74 TDP1 (0.38) TDP1PABPC1APOBEC3AAPOBEC3G
SCHEMBL7332966 0.74 TDP1 (0.38) TDP1PABPC1APOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304685-A Preparation of 3-(hydroxyphenyl)propionaldehydes and their hydrogenation to 3-(hydroxyphenyl)propanols BASF AKTIENGESELLSCHAFT (DE) 1994-04-19 US disclosed