SCHEMBL8600091

SCHEMBL8600091

C=CCOc1ccc2nc(/C=C/CCCC(C)F)cnc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FGFR1 P11362 1/20 0.33
ALOX5AP P20292 1/20 0.33
SRC P12931 2/20 0.32
ABL1 P00519 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32

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
SCHEMBL8600098 1.00 CA12 (0.35) CA12CA1CA9LMNASMN1; SMN2
SCHEMBL8049176 0.90 PDE3B (0.38) CA12CA1CA9LMNASMN1; SMN2
SCHEMBL8049181 0.90 PDE3B (0.38) CA12CA1CA9LMNASMN1; SMN2
SCHEMBL8047405 0.84 LTB4R (0.34) CA12CA1CA9LMNASMN1; SMN2
SCHEMBL8047410 0.84 LTB4R (0.34) CA12CA1CA9LMNASMN1; SMN2
SCHEMBL8598582 0.83
SCHEMBL8598584 0.83
SCHEMBL8051732 0.82 CYP2D6 (0.36) CA12CA1CA9LMNASMN1; SMN2
SCHEMBL8051738 0.82 CYP2D6 (0.36) CA12CA1CA9LMNASMN1; SMN2
SCHEMBL8598380 0.81 MET (0.30) SRC

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