SCHEMBL8507282

SCHEMBL8507282

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
S1PR5 Q9H228 4/20 0.38
FAAH O00519 6/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 3/20 0.37

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
SCHEMBL8507286 1.00 RARB (0.39) RARBKDM4EALDH1A1HPGDHTT
SCHEMBL8903759 0.93 RARB (0.35) RARBKDM4EALDH1A1HPGDHTT
SCHEMBL8903747 0.93 RARB (0.35) RARBKDM4EALDH1A1HPGDHTT
SCHEMBL8506802 0.84 KDM4E (0.45) RARBKDM4EALDH1A1HPGDHTT
SCHEMBL8506798 0.84 KDM4E (0.45) RARBKDM4EALDH1A1HPGDHTT
SCHEMBL9618457 0.84 KDM4E (0.49) RARBKDM4EALDH1A1HPGDHTT
SCHEMBL9618458 0.84 KDM4E (0.49) RARBKDM4EALDH1A1HPGDHTT
SCHEMBL8902970 0.83 CNR2 (0.38) HTTSMN1; SMN2
SCHEMBL9505837 0.83 RARB (0.41) RARBS1PR5FAAHS1PR1S1PR3
SCHEMBL8902962 0.83 CNR2 (0.38) HTTSMN1; SMN2

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 2 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 claimed
US-5630962-A 2-Fluoropyridines, their preparation and their use in liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-20 US disclosed