SCHEMBL8992363

SCHEMBL8992363

CCCCCCCc1cnc(-c2ccc(OCC(F)CCCCCC)c(F)c2F)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.39
RAB9A P51151 4/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
S1PR1 P21453 4/20 0.33
S1PR4 O95977 3/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR2 O95136 2/20 0.32
S1PR3 Q99500 2/20 0.32
NPC1 O15118 2/20 0.32
STAT3 P40763 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
SCHEMBL9562059 1.00 RARB (0.39) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9122773 1.00 RARB (0.39) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9562056 1.00 RARB (0.39) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9562127 0.92 RARB (0.46) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL9562129 0.92 RARB (0.46) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL13987905 0.90 RARB (0.38) RARBRAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL7750068 0.90 RARB (0.32) RARB
SCHEMBL7745602 0.90 RARB (0.32) RARB
SCHEMBL7750073 0.90 RARB (0.32) RARB
SCHEMBL7750018 0.90 RARB (0.32) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433826-B1 Fluorophenylpyridines HOECHST AG (DE) 1996-07-10 EP disclosed
US-5447904-A Herbicides and chemical intermediates BAYER AKTIENGESELLSCHAFT (DE) 1995-09-05 US disclosed
US-5447904-A Herbicides and chemical intermediates BAYER AKTIENGESELLSCHAFT (DE) 1995-09-05 US disclosed
US-5447904-A Herbicides and chemical intermediates BAYER AKTIENGESELLSCHAFT (DE) 1995-09-05 US disclosed
EP-0428665-B1 FLUOROPHENYL PYRIMIDINES MERCK PATENT GMBH (DE) 1995-04-05 EP disclosed
US-5393459-A Optically active compounds, and a liquid-crystalline phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-28 US disclosed
US-5389291-A Components of liquid crystalline media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
US-5340497-A Ferroelectric liquid crystal MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-08-23 US disclosed
EP-0584655-A2 3-Aryl-triazine-2,4-diones as herbicides BAYER AG (DE) 1994-03-02 EP disclosed
US-5232624-A Components of tilted smectic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0332025-B1 CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENES MERCK PATENT GmbH (DE) 1993-06-23 EP disclosed
US-5204476-A For use in chiral tilted smectic liquid crystal phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US disclosed
EP-0513262-A1 3,6-DISUBSTITUTED 2-HALOPYRIDINES MERCK PATENT GmbH (DE) 1992-11-19 EP disclosed
WO-1992009576-A1 3,6-DISUBSTITUTED 2-HALOPYRIDINES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1992-06-11 WO disclosed
EP-0428665-A1 FLUOROPHENYL PYRIMIDINES. MERCK PATENT GMBH (DE) 1991-05-29 EP disclosed
WO-1990015116-A1 FLUOROPHENYL PYRIMIDINES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-12-13 WO disclosed
EP-0357739-A1 CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE MERCK PATENT GmbH (DE) 1990-03-14 EP disclosed
WO-1989008639-A1 CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 WO disclosed
EP-0332025-A1 Chiral derivatives of 1,2-difluorobenzenes MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed