SCHEMBL9399518

SCHEMBL9399518

CCCCCc1ccc(-c2cnc(OC[C@H]3CC[C@H](CCCCC)CC3)nc2)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 6/20 0.38
TBK1 Q9UHD2 6/20 0.38
XDH P47989 4/20 0.35
S1PR1 P21453 2/20 0.35

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
SCHEMBL9399509 1.00 IKBKE (0.38) IKBKETBK1XDHS1PR1
SCHEMBL9399418 0.88 IKBKE (0.39) IKBKETBK1XDHS1PR1
SCHEMBL9399407 0.88 IKBKE (0.39) IKBKETBK1XDHS1PR1
SCHEMBL9398832 0.87 IKBKE (0.37) IKBKETBK1XDHS1PR1
SCHEMBL9398838 0.87 IKBKE (0.37) IKBKETBK1XDHS1PR1
SCHEMBL9399492 0.86 LNPEP (0.34)
SCHEMBL9399498 0.86 LNPEP (0.34)
SCHEMBL9398823 0.86 GRM2 (0.38) S1PR1
SCHEMBL9398827 0.86 GRM2 (0.38) S1PR1
SCHEMBL9399688 0.86 IKBKE (0.46) IKBKETBK1XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338483-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-08-16 US disclosed
US-5310501-A Anisotropic compounds having Nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1994-05-10 US disclosed
US-5227484-A ANISOTROPIC COMPOUNDS HAVING NEMATIC PHASE AND LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1993-07-13 US disclosed
US-5179101-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1993-01-12 US disclosed
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US disclosed