SCHEMBL8809802

SCHEMBL8809802

CC(C)(C)NCCCC([O])=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TP53BP1 Q12888 4/20 0.36
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
GAA P10253 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
SCHEMBL25734619 0.81 ALDH1A1 (0.41) POLBTP53BP1ALDH1A1MEN1LMNA
SCHEMBL30582766 0.81 POLB (0.38) POLBTP53BP1ALDH1A1MEN1LMNA
SCHEMBL3314749 0.81 POLB (0.38) POLBTP53BP1ALDH1A1MEN1LMNA
SCHEMBL4806320 0.81 LMNA (0.46) POLBALDH1A1MEN1LMNAKMT2A
SCHEMBL18531112 0.79 TP53BP1 (0.38) POLBTP53BP1ALDH1A1MEN1LMNA
SCHEMBL12091393 0.79 POLB (0.37) POLBTP53BP1ALDH1A1MEN1LMNA
SCHEMBL22851616 0.77 LMNA (0.41) POLBTP53BP1ALDH1A1MEN1LMNA
SCHEMBL22039380 0.77 HDAC1 (0.52) TP53BP1KDM4E
SCHEMBL17574414 0.77 TSHR (0.58) POLBALDH1A1MEN1LMNAKMT2A
SCHEMBL22851382 0.76 ALDH1A1 (0.50) POLBTP53BP1ALDH1A1MEN1LMNA

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
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed