SCHEMBL7595337

SCHEMBL7595337

[Li]C1C(CC)CCC1CCCC

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
DPP4 P27487 1/20 0.32
EPHX1 P07099 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
SCHEMBL7592388 0.91 CYP1A2 (0.40) CYP1A2CHRNB2CHRNA7CHRNA4DPP4
SCHEMBL7598291 0.86 CA1 (0.38)
SCHEMBL7594467 0.84 CYP1A2 (0.44) CYP1A2DPP4EPHX1
SCHEMBL7599306 0.83
SCHEMBL28327491 0.80 CYP1A2 (0.44) CYP1A2CHRNB2CHRNA7CHRNA4DPP4
SCHEMBL7592391 0.80 CYP1A2 (0.37) CYP1A2DPP4
SCHEMBL7596763 0.78 CA1 (0.42)
SCHEMBL7598416 0.77 CA1 (0.45)
SCHEMBL7593643 0.73 CYP1A2 (0.38) CYP1A2CHRNB2CHRNA7CHRNA4DPP4
SCHEMBL7599539 0.72 CYP1A2 (0.39) CYP1A2DPP4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894802-B1 Silane compound NIPPON MITSUBISHI OIL CORP (JP) 2002-11-06 EP disclosed
US-6150549-A Silane compound NIPPON MITSUBISHI OIL CORPORATION (JP) 2000-11-21 US disclosed
EP-0894802-A2 Silane compound NIPPON OIL CO. LTD. (JP) 1999-02-03 EP disclosed