SCHEMBL8397278

SCHEMBL8397278

CCCCC(C#N)(CO)C(=O)OCO

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 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
SCHEMBL8399193 0.82 ALDH1A1 (0.37) MEN1KMT2ACYP4F2CYP4A11TSHR
SCHEMBL7709450 0.81 MEN1 (0.49) MEN1KMT2ACYP4F2CYP4A11TSHR
SCHEMBL8397276 0.79 ALDH1A1 (0.44) TSHRALDH1A1ATML3MBTL1HPGD
SCHEMBL8399191 0.74 MEN1 (0.48) MEN1KMT2ACYP4F2CYP4A11TSHR
SCHEMBL7703875 0.73 MMP8 (0.42) MEN1KMT2ACYP4F2CYP4A11TSHR
SCHEMBL28626937 0.72 ALDH1A1 (0.44) MEN1KMT2ATSHRALDH1A1ATM
SCHEMBL7703895 0.72 AKR1B1 (0.34) MEN1KMT2ATSHRALDH1A1
SCHEMBL29000578 0.71 PAM (0.44) MEN1KMT2ACYP4F2CYP4A11TSHR
SCHEMBL29000582 0.71 GPR84 (0.44) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL27989962 0.70 ALDH1A1 (0.31) ALDH1A1

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
US-5932747-A Method for preparing 1,3-dioxane compounds HUELS AKTIENGESELLSCHAFT (DE) 1999-08-03 US claimed