SCHEMBL45931

SCHEMBL45931

CC(O)C(=O)CCn1ccnc1C(C)C

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.70
FPR2 P25090 5/20 0.41
ESR1 P03372 1/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2627813 0.84 SMN1; SMN2 (0.97) SMN1; SMN2FPR2ESR1CYP2D6TSHR
SCHEMBL4395997 0.83 SMN1; SMN2 (0.72) SMN1; SMN2FPR2ESR1CYP2D6TSHR
SCHEMBL47376 0.81 SMN1; SMN2 (0.65) SMN1; SMN2FPR2
SCHEMBL45929 0.80 SMN1; SMN2 (0.68) SMN1; SMN2FPR2CYP2D6TSHRCYP2C19
SCHEMBL47377 0.80 SMN1; SMN2 (0.46) SMN1; SMN2FPR2ESR1KMT2A
SCHEMBL3034630 0.77 SMN1; SMN2 (0.64) SMN1; SMN2FPR2CYP2D6TSHRCYP2C19
SCHEMBL2627811 0.77 SMN1; SMN2 (0.63) SMN1; SMN2FPR2ESR1CYP2D6TSHR
SCHEMBL3038968 0.76 SMN1; SMN2 (0.63) SMN1; SMN2FPR2CYP2D6TSHRCYP2C19
Hydrochloric Acid SCHEMBL5133311 0.75 SMN1; SMN2 (0.66) SMN1; SMN2CYP2D6TSHRCYP2C19HIF1A
SCHEMBL15014467 0.74 SMN1; SMN2 (0.60) SMN1; SMN2CYP2D6TSHRCYP2C19HIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383721-B2 Polymerizable ionic liquid compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-26 US disclosed
US-20110288227-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2011-11-24 US disclosed
US-20110288227-A1 POLYMERIZABLE IONIC LIQUID COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2011-11-24 US disclosed