SCHEMBL28000072

SCHEMBL28000072

CCCCOC(=O)C1(C)CN(C(=O)O)CC(F)(F)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ESR1 P03372 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
SCHEMBL28111563 0.77 SMN1; SMN2 (0.38) LMNAPOLBSMN1; SMN2ALDH1A1HCAR2
SCHEMBL28019155 0.77 ALDH1A1 (0.35) LMNAPOLBSMN1; SMN2ALDH1A1HCAR2
SCHEMBL27969757 0.76 SMN1; SMN2 (0.42) LMNAPOLBSMN1; SMN2ALDH1A1HCAR2
SCHEMBL28000048 0.75 LMNA (0.34) LMNAPOLBSMN1; SMN2ALDH1A1HCAR2
SCHEMBL28000042 0.75 ATM (0.35) LMNAPOLBSMN1; SMN2ALDH1A1HCAR2
SCHEMBL16711263 0.68 ALDH1A1 (0.44) LMNAPOLBSMN1; SMN2ALDH1A1HCAR2
SCHEMBL16748755 0.68 ALDH1A1 (0.47) LMNAPOLBSMN1; SMN2ALDH1A1HCAR2
SCHEMBL3011426 0.66 ALDH1A1 (0.45) LMNAPOLBSMN1; SMN2ALDH1A1HCAR2
SCHEMBL16391280 0.66 ALDH1A1 (0.45) LMNAPOLBSMN1; SMN2ALDH1A1HCAR2
SCHEMBL28231627 0.66 ALDH1A1 (0.45) LMNAPOLBSMN1; SMN2ALDH1A1HCAR2

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
CN-104334557-A Diacylglycerol acyltransferase 2 inhibitors PFIZER 2015-02-04 CN disclosed