SCHEMBL8600121

SCHEMBL8600121

C=CCOc1ccc2cc(-c3ccc(C#CCCCC(C)F)cn3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.39
ABL1 P00519 1/20 0.39
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASR P41180 1/20 0.33
CA12 O43570 4/20 0.32
CA1 P00915 4/20 0.32
CA9 Q16790 4/20 0.32
CYP2D6 P10635 1/20 0.32
GRM5 P41594 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
SCHEMBL7554909 0.92 ALDH1A1 (0.38) SRCABL1KDM4EALDH1A1HPGD
SCHEMBL7557875 0.91 KDM4E (0.38) SRCABL1KDM4EALDH1A1HPGD
SCHEMBL7561726 0.89 NPC1 (0.40) SRCABL1CASRCA12CA1
SCHEMBL7553640 0.89 SRC (0.40) SRCABL1KDM4EALDH1A1CASR
SCHEMBL7558048 0.88 SRC (0.39) SRCABL1CASRCA12CA1
SCHEMBL7554874 0.87 KDM4E (0.35) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL7557233 0.86 KDM4E (0.35) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL7553635 0.86 KDM4E (0.35) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL7554200 0.86 KDM4E (0.35) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL7556766 0.86 MAPT (0.40) SRCABL1KDM4EALDH1A1CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667384-B1 Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same SUMITOMO CHEMICAL CO (JP) 1998-12-16 EP disclosed
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed
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