SCHEMBL9205495

SCHEMBL9205495

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 2/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 1/20 0.34
TRPV1 Q8NER1 8/20 0.34
SMYD3 Q9H7B4 3/20 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
SCHEMBL9198518 0.88 LMNA (0.36) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL8986729 0.82 SMN1; SMN2 (0.40) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL9205492 0.80 TRPV1 (0.40) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL8438552 0.79 SMN1; SMN2 (0.42) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL9592232 0.77 ALDH1A1 (0.40) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL8986727 0.71 SMN1; SMN2 (0.39) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL7456808 0.65 SMN1; SMN2 (0.46) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL8986726 0.64 TRPV1 (0.44) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL8438550 0.63 NPC1 (0.45) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL9594743 0.62 ALDH1A1 (0.41) SMN1; SMN2LMNANPC1RAB9ATP53

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
EP-0418667-B1 Carboxylic acid amides BASF AG (DE) 1995-08-16 EP disclosed