SCHEMBL18418561

SCHEMBL18418561

CCCCC(CC)CCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(CCC(CC)CCCC)cc5F)cc4)c4nsnc34)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 1/20 0.39
▸ BDKRB2 P30411 3/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GCGR P47871 2/20 0.32
▸ FDFT1 P37268 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CHKA P35790 1/20 0.31

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
SCHEMBL19636613 0.96 RARB (0.36) RARBBDKRB2MMP2MMP3S1PR1
SCHEMBL22299264 0.95 RARB (0.36) RARBBDKRB2MMP2MMP3S1PR1
SCHEMBL25804903 0.90 RARB (0.37) RARBBDKRB2MMP2MMP3S1PR1
SCHEMBL18418560 0.89 S1PR1 (0.38) RARBS1PR1S1PR3LMNA
SCHEMBL19636898 0.89 MMP3 (0.34) RARBBDKRB2MMP2MMP3S1PR1
SCHEMBL25070429 0.89 RARB (0.35) RARBMMP2MMP3S1PR1S1PR3
SCHEMBL18217161 0.88 RARB (0.34) RARBMMP2MMP3S1PR1S1PR3
SCHEMBL25070373 0.88 HTR1A (0.33) RARB
SCHEMBL21914655 0.87 RARB (0.31) RARB
SCHEMBL21815412 0.87 RARB (0.30) RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
US-11015123-B2 Liquid-crystal material MERCK PATENT GMBH (DE) 2021-05-25 — — US disclosed
US-20200255741-A1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2020-08-13 — — US disclosed
WO-2020158038-A1 LIQUID CRYSTAL COMPOSITE AND LIQUID CRYSTAL DIMMER ELEMENT JNC株式会社 2020-08-06 — — WO disclosed
US-10723950-B2 Liquid-crystalline mixtures MERCK PATENT GMBH (DE) 2020-07-28 — — US disclosed
US-20190016955-A1 LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2019-01-17 — — US disclosed
WO-2017198637-A1 LIQUID-CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-11-23 — — WO disclosed
US-20170029702-A1 LIQUID CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-02-02 — — US disclosed
US-20170029702-A1 LIQUID CRYSTAL MATERIAL MERCK PATENT GMBH (DE) 2017-02-02 — — US disclosed
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