SCHEMBL8506802

SCHEMBL8506802

CCCCCCCCOc1ccc(-c2ccc(OC[C@H]3CC[C@H](CCCCC)CC3)c(F)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
CYP2D6 P10635 8/20 0.39
CYP19A1 P11511 7/20 0.39
CYP2C9 P11712 6/20 0.39
CYP2C19 P33261 6/20 0.39
CYP1A2 P05177 5/20 0.39
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
XDH P47989 1/20 0.37
RARB P10826 3/20 0.36
NR5A1 Q13285 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR1B P28222 1/20 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
SCHEMBL8506798 1.00 KDM4E (0.45) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8507286 0.84 RARB (0.39) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8507282 0.84 RARB (0.39) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8504618 0.84 MAPT (0.39) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8506479 0.84 MAPT (0.39) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8506275 0.84 MAPT (0.39) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8506477 0.84 MAPT (0.39) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8504614 0.84 MAPT (0.39) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8507486 0.84 MAPT (0.39) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8506276 0.84 MAPT (0.39) KDM4EALDH1A1HPGDL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563146-B1 2-FLUOROPYRIDINE, PROCESS FOR PRODUCING IT AND ITS USE IN LIQUID CRYSTAL MIXTURES HOECHST AG (DE) 1999-10-06 EP disclosed
EP-0930301-A1 2-Fluoropyridine, process for producing it and its use in liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
US-5630962-A 2-Fluoropyridines, their preparation and their use in liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-20 US disclosed
EP-0563146-A1 2-FLUOROPYRIDINE, PROCESS FOR PRODUCING IT AND ITS USE IN LIQUID CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-06 EP disclosed
WO-1992011241-A1 2-FLUOROPYRIDINE, PROCESS FOR PRODUCING IT AND ITS USE IN LIQUID CRYSTAL MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-09 WO disclosed