SCHEMBL28397691

SCHEMBL28397691

C=CCCC1(C(=O)OCC)CCCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.34
CYP3A4 P08684 3/20 0.34
ATM Q13315 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.33
F10 P00742 1/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL25302536 0.96 CYP2C19 (0.37) CYP2C19CYP3A4ATMMEN1KMT2A
SCHEMBL23672275 0.88 CYP2C19 (0.36) CYP2C19CYP3A4ATMMEN1KMT2A
SCHEMBL23924985 0.88 CYP2C19 (0.36) CYP2C19CYP3A4ATMMEN1KMT2A
SCHEMBL23672269 0.87 CYP2C19 (0.35) CYP2C19CYP3A4ATMMEN1KMT2A
SCHEMBL25619136 0.86 CYP2C19 (0.36) CYP2C19CYP3A4ATMMEN1KMT2A
SCHEMBL1137710 0.86 CYP2C19 (0.36) CYP2C19CYP3A4ATMMEN1KMT2A
SCHEMBL7624802 0.85 CYP2C19 (0.35) CYP2C19CYP3A4ATMMEN1KMT2A
SCHEMBL5180173 0.82 CYP2C19 (0.39) CYP2C19CYP3A4ATMMEN1KMT2A
SCHEMBL31695088 0.82 CYP2C19 (0.39) CYP2C19CYP3A4ATMMEN1KMT2A
SCHEMBL28043401 0.82 CYP3A4 (0.36) CYP2C19CYP3A4ATMALDH1A1POLB

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-111153924-B Synthetic method of 3-azido-trisilane 扬州大学 2022-06-03 CN disclosed
CN-111153924-A Synthetic method of 3-azido trisilane 扬州大学 2020-05-15 CN disclosed