SCHEMBL7450681

SCHEMBL7450681

CCOC(=O)CC(N)c1cc(C)no1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 2/20 0.37
VHL P40337 1/20 0.36
HTT P42858 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Hydrochloric Acid SCHEMBL7463125 0.98 LMNA (0.39) LMNAALDH1A1SMN1; SMN2POLBHCAR2
SCHEMBL12261824 0.75 POLB (0.36) ALDH1A1SMN1; SMN2POLBHCAR2NPC1
SCHEMBL16619625 0.74 LMNA (0.43) LMNAALDH1A1SMN1; SMN2POLBHCAR2
SCHEMBL7450688 0.74 LMNA (0.41) LMNAALDH1A1SMN1; SMN2POLBHCAR2
Hydrochloric Acid SCHEMBL7463131 0.73 LMNA (0.40) LMNAALDH1A1SMN1; SMN2POLBHCAR2
SCHEMBL25602286 0.72 POLB (0.43) LMNAALDH1A1SMN1; SMN2POLBHCAR2
SCHEMBL4751904 0.71 VHL (0.54) LMNAALDH1A1SMN1; SMN2POLBHCAR2
SCHEMBL6778631 0.71 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBTSHRHTT
SCHEMBL21476113 0.71 KDM4E (0.40) LMNAALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL7349278 0.70 ALDH1A1 (0.44) LMNAALDH1A1SMN1; SMN2TSHRHTT

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
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed