SCHEMBL28564489

SCHEMBL28564489

COC(=O)CCCCCCCCCCCCCCCOC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
DGKA P23743 1/20 0.45
KMT2A Q03164 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
HPGD P15428 1/20 0.41
NAAA Q02083 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL3502667 1.00 TSHR (0.56) TSHRALDH1A1LMNADGKAKMT2A
SCHEMBL3501830 1.00 TSHR (0.56) TSHRALDH1A1LMNADGKAKMT2A
SCHEMBL3503952 1.00 TSHR (0.56) TSHRALDH1A1LMNADGKAKMT2A
SCHEMBL3504194 1.00 TSHR (0.56) TSHRALDH1A1LMNADGKAKMT2A
SCHEMBL3502675 1.00 TSHR (0.56) TSHRALDH1A1LMNADGKAKMT2A
SCHEMBL28555292 1.00 TSHR (0.56) TSHRALDH1A1LMNADGKAKMT2A
SCHEMBL3504472 1.00 TSHR (0.56) TSHRALDH1A1LMNADGKAKMT2A
SCHEMBL9968682 1.00 TSHR (0.56) TSHRALDH1A1LMNADGKAKMT2A
SCHEMBL3503469 0.98 TSHR (0.58) TSHRALDH1A1LMNADGKAKMT2A
Acetic Acid Pentyl Ester SCHEMBL25421504 0.93 ALDH1A1 (0.59) TSHRALDH1A1DGKANAAAPRSS1

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-107001234-B Preparation method of omega-hydroxy fatty acid ester and precursor compound thereof 花王株式会社 2021-04-16 CN disclosed