SCHEMBL9399078

SCHEMBL9399078

CCCCCC1CCC(CCc2cnc(-c3ccc(OC(=O)CC)c(Cl)c3)nc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.40
GRM2 Q14416 5/20 0.36
HPGD P15428 1/20 0.35
KMO O15229 2/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
S1PR1 P21453 3/20 0.34
MAPT P10636 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PPARG P37231 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9399071 1.00 RARB (0.40) RARBGRM2HPGDKMOTHRA
SCHEMBL9399055 0.90 GRM2 (0.37) GRM2HPGDKMOTHRATHRB
SCHEMBL9399045 0.90 GRM2 (0.37) GRM2HPGDKMOTHRATHRB
SCHEMBL9398707 0.89 RARB (0.40) RARBHPGDTHRATHRBMAPT
SCHEMBL9398818 0.89 RARB (0.40) RARBTHRATHRBS1PR1MAPT
SCHEMBL9398811 0.89 RARB (0.40) RARBTHRATHRBS1PR1MAPT
SCHEMBL9398715 0.89 RARB (0.40) RARBHPGDTHRATHRBMAPT
SCHEMBL9399517 0.88 GRM2 (0.43) GRM2KMOPDE4APDE4BPDE4C
SCHEMBL9399512 0.88 GRM2 (0.43) GRM2KMOPDE4APDE4BPDE4C
SCHEMBL9398728 0.86 XDH (0.46) RARBHPGDS1PR1ALDH1A1

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