SCHEMBL28059543

SCHEMBL28059543

O=CCCCO.O=CCCCO

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.60
TSHR P16473 3/20 0.47
FAAH O00519 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GPR84 Q9NQS5 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL58606 1.00
SCHEMBL11773341 0.97
SCHEMBL27806665 0.97
SCHEMBL2677189 0.97
Hydrochloric Acid SCHEMBL6601155 0.97
Methane SCHEMBL29282103 0.97
SCHEMBL16859762 0.97
Ethane SCHEMBL8181219 0.94
Acetaldehyde SCHEMBL18398682 0.91
SCHEMBL196890 0.90

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
CN-102762735-B Microorganisms producing 1, 4-butanediol, 4-hydroxybutyraldehyde, 4-hydroxybutyryl-COA, putrescine and related compounds and related methods 基因组股份公司 2016-08-03 CN disclosed