SCHEMBL8613409

SCHEMBL8613409

CCn1ncc(-c2ccc3c(c2C)C(=NOC)CC(=C=O)S3(=O)=O)c1OCC(=O)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
HSD11B1 P28845 1/20 0.30
HPGD P15428 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
SCHEMBL8613459 0.93 PDE4B (0.30)
SCHEMBL8617437 0.80
SCHEMBL8614824 0.75
SCHEMBL8462335 0.75 NPC1 (0.32) NPC1RAB9ASMN1; SMN2MAPTHSD11B1
SCHEMBL8622570 0.68 PDE4B (0.31) HSD11B1HPGD
SCHEMBL8622565 0.68 PDE4B (0.31) HSD11B1HPGD
SCHEMBL9089224 0.61
SCHEMBL8460555 0.60 HPGD (0.33) NPC1RAB9ASMN1; SMN2HSD11B1HPGD
SCHEMBL9091071 0.60
SCHEMBL8522813 0.60 POLB (0.31)

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-5756759-A HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 1998-05-26 US disclosed