SCHEMBL9768968

SCHEMBL9768968

CCCCOC(=O)C1NCCC1[C]=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRCP P42785 1/20 0.35
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SPHK1 Q9NYA1 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NAAA Q02083 1/20 0.32
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL15955679 0.81 SPHK1 (0.44) ALDH1A1ATMLMNAPOLBSMN1; SMN2
SCHEMBL9768973 0.79 ATM (0.40) ALDH1A1ATMLMNAPOLBSMN1; SMN2
SCHEMBL7295736 0.77 NAAA (0.45) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL454181 0.76 SPHK1 (0.48) SMN1; SMN2PRCPTSHRSPHK1NAAA
SCHEMBL8276700 0.76 SLC1A2 (0.51) ALDH1A1ATMHCAR2CHRM2CHRM4
SCHEMBL9863068 0.76 NAAA (0.42) SMN1; SMN2PRCPTSHRHCAR2CHRM2
SCHEMBL9769032 0.74 CHRM2 (0.37) SMN1; SMN2PRCPTSHRHCAR2CHRM2
SCHEMBL9863070 0.74 SLC1A2 (0.49) PRCPHCAR2CHRM2CHRM4CHRM5
SCHEMBL7455916 0.72 ALDH1A1 (0.37) ALDH1A1ATMLMNAPOLBSMN1; SMN2
SCHEMBL8298807 0.71 MEN1 (0.54) ALDH1A1PRCPCHRM2CHRM4CHRM5

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
US-4992534-A Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-12 US disclosed
CN-1031536-A 2 '-'-Deoxy-5-fluorouridine derivatives and its production and application OTSUKA PHARMA CO LTD (JP) 1989-03-08 CN disclosed