SCHEMBL8601078

SCHEMBL8601078

C=CCOc1ccc(-c2ccc3cc(C#CCCCC(C)F)ccc3c2)cn1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.31
SRC P12931 2/20 0.31
ABL1 P00519 1/20 0.31
ATM Q13315 1/20 0.30
PIK3CD O00329 2/20 0.30
PIK3CA P42336 2/20 0.30
PIK3CB P42338 2/20 0.30
PI4KA P42356 2/20 0.30
PIK3CG P48736 2/20 0.30
PI4KB Q9UBF8 2/20 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
SCHEMBL7557483 0.90 ACACB (0.30)
SCHEMBL7555746 0.89 FTO (0.33) SRCABL1
SCHEMBL7559453 0.88 CYP2D6 (0.36) SRCABL1
SCHEMBL8603386 0.85 SRC (0.32) SRCABL1
SCHEMBL8598774 0.84
SCHEMBL7555902 0.83
SCHEMBL7558048 0.83 SRC (0.39) SRCABL1
SCHEMBL7554981 0.83 NPC1 (0.38) SRCABL1
SCHEMBL8597099 0.82 CA12 (0.38) SRCABL1
SCHEMBL8603954 0.82 SRC (0.38) SRCABL1

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