SCHEMBL8097672

SCHEMBL8097672

O=S(=O)(O)CCCN(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
APP P05067 1/20 0.34
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8097239 0.95 LTA4H (0.34) LTA4HAPP
SCHEMBL8100023 0.90 LTA4H (0.36) LTA4HTSHRSMN1; SMN2
SCHEMBL8100174 0.80 TSHR (0.34) TSHRSMN1; SMN2
SCHEMBL8160080 0.78 SMN1; SMN2 (0.35) LTA4HAPPTSHRSMN1; SMN2
SCHEMBL9187620 0.76 TDP1 (0.39) TSHRSMN1; SMN2
SCHEMBL8153480 0.76 SMN1; SMN2 (0.34) LTA4HAPPTSHRSMN1; SMN2
SCHEMBL8158074 0.76 SMN1; SMN2 (0.34) LTA4HAPPTSHRSMN1; SMN2
SCHEMBL918029 0.75 HDAC3 (0.51) LTA4HAPP
SCHEMBL27273867 0.75 HDAC3 (0.47) LTA4HAPP
SCHEMBL8159899 0.75 SMN1; SMN2 (0.33) LTA4HAPPTSHRSMN1; SMN2

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-6103867-A METAL COMPLEX MIXED WITH LEWIS AND/OR PROTIC ACIDS; SIMPLIFICATION, EFFICIENCY, HALOGEN-FREE STARTING MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US disclosed