SCHEMBL9110877

SCHEMBL9110877

CCOC(=O)CC1C=Cc2ccccc2N1C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 5/20 0.48
TSHR P16473 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
P2RX4 Q99571 2/20 0.46
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 1/20 0.37
IDO1 P14902 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8401577 0.82 SMN1; SMN2 (0.69) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL9188247 0.77 SMN1; SMN2 (0.82) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL9187854 0.76 SMN1; SMN2 (0.80) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL8947992 0.75 SMN1; SMN2 (0.71) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL8947996 0.75 SMN1; SMN2 (0.75) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL29659899 0.74 MEN1 (0.64) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL22262397 0.74 MEN1 (0.64) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL11728362 0.74 SMN1; SMN2 (0.82) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL9188447 0.73 LMNA (0.60) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4
SCHEMBL23705539 0.73 SMN1; SMN2 (1.00) LMNASMN1; SMN2ALDH1A1TSHRCYP3A4

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-5453509-A Functionalization of acyl pyridinium salts SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1995-09-26 US disclosed
WO-1995010505-A1 FUNCTIONALIZATION OF ACYL PYRIDINIUM SALTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1995-04-20 WO disclosed