SCHEMBL8378779

SCHEMBL8378779

[CH2]C(CCCCCC)OC=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.42
ADH1C P00326 2/20 0.42
ADH1A P07327 2/20 0.42
ADH4 P08319 2/20 0.42
ADH7 P40394 2/20 0.42
TSHR P16473 2/20 0.38
SMPD1 P17405 3/20 0.37
MAPT P10636 2/20 0.37
TRPA1 O75762 1/20 0.37
DDAH1 O94760 1/20 0.37
GAPDH P04406 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
FDPS P14324 3/20 0.36
FFAR1 O14842 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7517010 0.98 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28840283 0.80 ALDH1A1 (0.35)
SCHEMBL28839648 0.79
SCHEMBL17040069 0.78 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL17123651 0.78 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL24654117 0.78 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL18782878 0.78 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1614822 0.78 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL18188028 0.78 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL30524351 0.78 SMPD1 (0.48) ADH1BADH1CADH1AADH4ADH7

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
US-20220056187-A1 CURABLE COMPOSITION FOR OPTICAL MATERIALS, AND OPTICAL MATERIAL TOKUYAMA CORPORATION (JP) 2022-02-24 US disclosed
US-5986042-A Cross-linked polymer MITSUI CHEMICALS, INC. (JP) 1999-11-16 US disclosed