SCHEMBL9288296

SCHEMBL9288296

C=CCc1ccc(-c2ccc(-c3ccc(C#CC(I)CCC(C)F)cn3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.32
CYP11B1 P15538 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9285331 0.87
SCHEMBL9286998 0.87 KDM4E (0.37) GRM5KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL7552712 0.82 L3MBTL1 (0.33) GRM5KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL7557671 0.81 RAB9A (0.33) GRM5KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL8517876 0.80 RAB9A (0.35) GRM5CYP11B1KDM4EALDH1A1HPGD
SCHEMBL7551619 0.77 RAB9A (0.32) L3MBTL1MAPTRAB9A
SCHEMBL7555432 0.77 RAB9A (0.32) L3MBTL1MAPTRAB9A
SCHEMBL9288293 0.76 GRM5 (0.33) GRM5L3MBTL1MAPTRAB9A
SCHEMBL7549550 0.76 RAB9A (0.35) CYP11B1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL9288828 0.75 RAB9A (0.33) KDM4EALDH1A1HPGDL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667384-A1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-08-16 EP disclosed