SCHEMBL7975128

SCHEMBL7975128

C=CC1CCN(COC(C)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.36
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7975125 0.83 SLC18A3 (0.36) SLC18A3ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL7992391 0.77 SLC18A3 (0.37) SLC18A3ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL7986102 0.77 SLC18A3 (0.37) SLC18A3ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL7989717 0.76 SLC18A3 (0.36) SLC18A3ALDH1A1LMNAHSD17B10
SCHEMBL16285109 0.74 TEAD3 (0.40) ALDH1A1LMNAHSD17B10
SCHEMBL5036796 0.73 ALDH1A1 (0.40) MAPK1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL6695501 0.71 ALDH1A1 (0.41) MAPK1ALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL18872274 0.71 ALDH1A1 (0.36) TSHRMAPK1ALDH1A1LMNA
SCHEMBL24219205 0.70 OPRM1 (0.34) OPRM1OPRD1TSHRALDH1A1SMN1; SMN2
SCHEMBL21846307 0.70 EPHX2 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed