SCHEMBL9084589

SCHEMBL9084589

OB(O)c1ccc(CCCCCCCCCC2CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.34
LIPG Q9Y5X9 4/20 0.34
TRPV1 Q8NER1 1/20 0.34
MGLL Q99685 1/20 0.34
LNPEP Q9UIQ6 5/20 0.33
CXCR2 P25025 2/20 0.32
CEL P19835 1/20 0.31
CXCR1 P25024 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
SCHEMBL19605352 0.78 LIPG (0.57) LPLLIPGTRPV1MGLL
SCHEMBL10311179 0.78 LIPG (0.57) LPLLIPGTRPV1MGLL
SCHEMBL9082892 0.78 LIPG (0.57) LPLLIPGTRPV1MGLL
SCHEMBL9083528 0.78 CXCR1 (0.36) CXCR2CXCR1
SCHEMBL9082943 0.78 LNPEP (0.33) LNPEP
SCHEMBL9083096 0.77 NPC1 (0.39) LNPEPCEL
SCHEMBL19261906 0.76 LIPG (0.56) LPLLIPGTRPV1MGLLCXCR2
SCHEMBL14318720 0.75 NPC1 (0.40) LNPEPCEL
SCHEMBL9084823 0.75 CEL (0.34) LNPEPCEL
SCHEMBL15688786 0.74 CA1 (0.55) LPLLIPGTRPV1MGLLCXCR2

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-5512207-A Azaaromatic compounds, process for their preparation, and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed