SCHEMBL8438552

SCHEMBL8438552

CC(C)c1noc(C(=O)NC2CC2)c1OC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
SMYD3 Q9H7B4 7/20 0.38
HTR4 Q13639 4/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
CNR2 P34972 1/20 0.33
GABRA5 P31644 1/20 0.32

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
SCHEMBL9231746 0.80 NPC1 (0.43) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL8438550 0.80 NPC1 (0.45) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL9205495 0.79 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL9201897 0.78 PRKAB2 (0.32) SMN1; SMN2GABRA5
SCHEMBL8986729 0.77 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL9077785 0.75 NPC1 (0.43) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL9077297 0.74 NPC1 (0.42) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL9198518 0.70 LMNA (0.36) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL8435003 0.69 RAB9A (0.35) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL9196921 0.68 HTT (0.37) SMN1; SMN2NPC1RAB9ATSHRHTT

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
EP-0669326-B1 Cyanoisoxazoles BASF AG (DE) 1999-12-22 EP disclosed
EP-0669326-A1 Cyanoisoxazoles BASF Aktiengesellschaft (DE) 1995-08-30 EP disclosed