SCHEMBL28196834

SCHEMBL28196834

O=C(CCCCO)OC1CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.46
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GAA P10253 2/20 0.36
PRKCA P17252 6/20 0.36
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL6978616 0.93 NAAA (0.53) NAAASMN1; SMN2GAAPRKCACYP2C19
SCHEMBL21218121 0.92 NAAA (0.68) NAAASMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL31069907 0.91 NAAA (0.64) NAAASMN1; SMN2GAACYP2C19MAPT
SCHEMBL7867444 0.90 NAAA (0.71) NAAASMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL31069918 0.89 NAAA (0.68) NAAASMN1; SMN2GAAPRKCACYP2C19
SCHEMBL9789759 0.88 NAAA (0.72) NAAASMN1; SMN2GPR84FFAR1FFAR4
SCHEMBL15155531 0.86 NAAA (0.59) NAAASMN1; SMN2GAACYP2C19MAPT
SCHEMBL11921056 0.85 NAAA (0.65) NAAASMN1; SMN2CYP2C19
SCHEMBL6979898 0.84
SCHEMBL5424914 0.83 NAAA (0.66) NAAASMN1; SMN2CYP2C19

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-107827748-A Synthesis method of 2-allyl cyclopropyl acetate racemate 安徽华胜医药科技有限公司 2018-03-23 CN disclosed