SCHEMBL903460

SCHEMBL903460

C=C(O)CCNC(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
HTT P42858 1/20 0.68
TGM2 P21980 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
KEAP1 Q14145 2/20 0.55
NFE2L2 Q16236 2/20 0.55
MAPT P10636 1/20 0.53
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52
FOLH1 Q04609 1/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
ELANE P08246 1/20 0.49
PRSS3 P35030 1/20 0.49
TPSAB1 Q15661 1/20 0.49
TPSD1 Q9BZJ3 1/20 0.49

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
SCHEMBL22296876 0.88 LMNA (0.68) LMNASMN1; SMN2HTTTGM2MEN1
SCHEMBL127662 0.87 HTT (0.82) LMNASMN1; SMN2HTTTGM2MEN1
SCHEMBL13055383 0.86 LMNA (0.80) LMNASMN1; SMN2HTTTGM2MEN1
Hydrochloric Acid SCHEMBL7400993 0.85 HTT (0.79) LMNASMN1; SMN2HTTTGM2MEN1
SCHEMBL5217172 0.84 HTT (0.68) LMNASMN1; SMN2HTTTGM2MEN1
SCHEMBL4449918 0.84 HTT (0.68) LMNASMN1; SMN2HTTTGM2MEN1
SCHEMBL28383136 0.84 HTT (0.68) LMNASMN1; SMN2HTTTGM2MEN1
SCHEMBL9626361 0.84 HTT (0.68) LMNASMN1; SMN2HTTTGM2MEN1
SCHEMBL10885850 0.84 HTT (0.68) LMNASMN1; SMN2HTTTGM2MEN1
SCHEMBL903426 0.84 HTT (0.63) LMNASMN1; SMN2HTTTGM2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020022237-A1 FUSED RING LACTAM DERIVATIVES 大日本住友製薬株式会社 2020-01-30 WO disclosed
WO-2012050899-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2012-04-19 WO disclosed
WO-2012044832-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS FETZER OLIVER S (US) 2012-04-05 WO disclosed
WO-2011063421-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2011-05-26 WO disclosed