SCHEMBL8832441

SCHEMBL8832441

CCCCOC(=O)N1C([C@@H]2C[C@H]2C)C(C(=O)O)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCAR2 Q8TDS4 1/20 0.32
ATM Q13315 1/20 0.32
PPP5C P53041 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GBA2 Q9HCG7 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
SCHEMBL15156783 0.75 LMNA (0.38) LMNAPOLBSMN1; SMN2HCAR2ATM
SCHEMBL2339025 0.73 PPARG (0.41) LMNAPOLBTSHRALDH1A1
SCHEMBL15156859 0.71 LMNA (0.38) LMNAPOLBSMN1; SMN2HCAR2ATM
SCHEMBL12164742 0.69 SPHK1 (0.47) LMNAPOLBSMN1; SMN2HCAR2ATM
SCHEMBL6235951 0.69 SPHK1 (0.47) LMNAPOLBSMN1; SMN2HCAR2ATM
SCHEMBL12164706 0.69 LMNA (0.43) LMNAPOLBSMN1; SMN2HCAR2ATM
SCHEMBL7972376 0.67 TSHR (0.40) LMNAPOLBSMN1; SMN2TSHRALDH1A1
SCHEMBL27578728 0.66 LMNA (0.35) LMNAPOLBSMN1; SMN2ATMALDH1A1
SCHEMBL14158149 0.65 LMNA (0.39) LMNAPOLBSMN1; SMN2HCAR2ATM
SCHEMBL8554509 0.65 SPHK1 (0.36) SMN1; SMN2

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-5608073-A TAXANE INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 1997-03-04 US disclosed