SCHEMBL9399063

SCHEMBL9399063

CCCCCC1CCC(C(C)c2cnc(-c3ccc(OC(=O)CC)c(Cl)c3)nc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 5/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMO O15229 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MAP4K4 O95819 2/20 0.33
MINK1 Q8N4C8 2/20 0.33
DYRK3 O43781 1/20 0.33
MARK3 P27448 1/20 0.33
PLK1 P53350 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
S1PR1 P21453 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL9398697 0.89 HPGD (0.33) HPGDTHRATHRB
SCHEMBL9398801 0.89 ACACB (0.35) THRATHRBS1PR1ACACBFFAR4
SCHEMBL9399867 0.88 SMN1; SMN2 (0.38) GRM2HPGDPDE4APDE4BPDE4C
SCHEMBL9399045 0.87 GRM2 (0.37) GRM2MAPTHPGDKMOTHRA
SCHEMBL9399055 0.87 GRM2 (0.37) GRM2MAPTHPGDKMOTHRA
SCHEMBL9398706 0.87 XDH (0.46) HPGDS1PR1
SCHEMBL9399137 0.86 GRM2 (0.35) GRM2MAPTHPGDKMOPDE4A
SCHEMBL9399071 0.86 RARB (0.40) GRM2MAPTHPGDKMOPDE4A
SCHEMBL9399078 0.86 RARB (0.40) GRM2MAPTHPGDKMOPDE4A
SCHEMBL9399517 0.85 GRM2 (0.43) GRM2KMOPDE4APDE4BPDE4C

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 8 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
EP-0084194-B1 LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1986-04-30 EP disclosed
EP-0084194-A1 Liquid crystal mixtures MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed