SCHEMBL8894579

SCHEMBL8894579

COC(=O)C1CCN(C(=O)C2CN(C3=C(C)C(=NO)C(N)C=C3)C(=O)O2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
GAA P10253 1/20 0.34
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
HTT P42858 2/20 0.32
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 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
SCHEMBL7467820 0.88
SCHEMBL8893351 0.86 HPGD (0.37) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL8894080 0.80
SCHEMBL8894588 0.72 ITGB3 (0.42) SMN1; SMN2TSHRCYP1A2CYP3A4CYP2D6
SCHEMBL8894594 0.71 CYP1A2 (0.37) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL8894573 0.71 CYP1A2 (0.37) SMN1; SMN2ALDH1A1NPC1RAB9AHTT
SCHEMBL7456463 0.61 ITGB3 (0.49)
SCHEMBL7293890 0.59 MEN1 (0.30) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL24365233 0.58 SMN1; SMN2 (0.47) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL7461829 0.58 ITGB3 (0.45) L3MBTL1

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
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US disclosed