SCHEMBL8357002

SCHEMBL8357002

O=CCCCCCCCCCCCCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.57
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
ALOX5 P09917 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL6579087 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL6577356 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL865066 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL3959220 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL6577464 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL6577430 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL6577467 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL8357720 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL98284 1.00 SIGMAR1 (0.57) SIGMAR1MAPTRXFP1MAOAMAOB
SCHEMBL96648 0.98 SIGMAR1 (0.54) SIGMAR1MAPTRXFP1MAOAMAOB

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-5998635-A CATALYTIC CYCLIZATION AN ALDEHYDE WITH A KETENE TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-12-07 US disclosed