SCHEMBL9198518

SCHEMBL9198518

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMYD3 Q9H7B4 4/20 0.34
HIF1A Q16665 1/20 0.34
TRPV1 Q8NER1 6/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9205495 0.88 SMN1; SMN2 (0.36) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL8986727 0.82 SMN1; SMN2 (0.39) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL9592232 0.79 ALDH1A1 (0.40) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL9205492 0.76 TRPV1 (0.40) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL9198962 0.75 HSD17B10 (0.30)
SCHEMBL8986729 0.71 SMN1; SMN2 (0.40) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL8438552 0.70 SMN1; SMN2 (0.42) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL9594743 0.64 ALDH1A1 (0.41) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL7456808 0.64 SMN1; SMN2 (0.46) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL8438550 0.62 NPC1 (0.45) LMNAHTTSMN1; SMN2NPC1RAB9A

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-0418667-B1 Carboxylic acid amides BASF AG (DE) 1995-08-16 EP disclosed
EP-0418667-A2 Carboxylic acid amides BASF Aktiengesellschaft (DE) 1991-03-27 EP disclosed