SCHEMBL28190016

SCHEMBL28190016

C=CC(=O)OC(=O)CCCCC(=O)OC.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.56
TSHR P16473 7/20 0.52
RECQL P46063 1/20 0.38
EPHX2 P34913 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 3/20 0.37
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL28036724 0.98 LMNA (0.58) LMNAALDH1A1TSHRRECQLEPHX2
SCHEMBL28190010 0.96 ALDH1A1 (0.61) LMNAALDH1A1TSHRRECQLEPHX2
SCHEMBL28189938 0.96 LMNA (0.56) LMNAALDH1A1TSHRRECQLEPHX2
SCHEMBL28189977 0.96 LMNA (0.56) LMNAALDH1A1TSHRRECQLEPHX2
SCHEMBL28190588 0.96 LMNA (0.56) LMNAALDH1A1TSHRRECQLEPHX2
SCHEMBL28190035 0.94 ALDH1A1 (0.59) LMNAALDH1A1TSHRRECQLEPHX2
SCHEMBL28189944 0.94 ALDH1A1 (0.59) LMNAALDH1A1TSHRRECQLEPHX2
SCHEMBL28190026 0.94 ALDH1A1 (0.59) LMNAALDH1A1TSHRRECQLEPHX2
SCHEMBL28082737 0.92 TSHR (0.54) LMNAALDH1A1TSHRHPGDKMT2A
SCHEMBL28082762 0.92 TSHR (0.54) LMNAALDH1A1TSHRHPGDKMT2A

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
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed
CN-107430213-A Hydrophilic optical feature monofilm and its layered product 三井化学株式会社 2017-12-01 CN disclosed