SCHEMBL8600962

SCHEMBL8600962

C=CCc1ccc(-c2ccc3cc(CCCCCC(C)F)ccc3c2)cn1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL8597081 0.92 PTGS2 (0.31)
SCHEMBL7563616 0.89 HSD17B10 (0.33)
SCHEMBL7559408 0.88 GRIN2D (0.32) SPHK1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL7558904 0.85 HRH3 (0.36) SPHK1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL7559220 0.84 CNR2 (0.33)
SCHEMBL8601971 0.84 RAB9A (0.35) SPHK1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL8603414 0.83 SRC (0.32) GRIN2DGRIN2AGRIN2BGRIN2CFFAR4
SCHEMBL7553151 0.83 PTGS2 (0.38) GRIN2DGRIN2AGRIN2BGRIN2CFFAR4
SCHEMBL7556697 0.82 FTO (0.34) GRIN2DGRIN2AGRIN2BGRIN2CFFAR4
SCHEMBL8601852 0.82 FFAR4 (0.39) GRIN2DGRIN2AGRIN2BGRIN2CFFAR4

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