SCHEMBL9507865

SCHEMBL9507865

F/C=C/C1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.33
MAOB P27338 4/20 0.33
MAOA P21397 3/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
KDM1A O60341 2/20 0.32
ESR2 Q92731 2/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL9507869 1.00 HDAC2 (0.38) HDAC2MAP1LC3BMAOBMAOAPTGS1
SCHEMBL9507875 1.00 HDAC2 (0.38) HDAC2MAP1LC3BMAOBMAOAPTGS1
SCHEMBL9475793 0.95 HDAC2 (0.41) HDAC2MAP1LC3BMAOBMAOAPTGS1
SCHEMBL9475787 0.95 HDAC2 (0.41) HDAC2MAP1LC3BMAOBMAOAPTGS1
SCHEMBL9475782 0.95 HDAC2 (0.41) HDAC2MAP1LC3BMAOBMAOAPTGS1
SCHEMBL9476954 0.90 PTGS2 (0.40) HDAC2MAP1LC3BMAOBMAOAPTGS1
SCHEMBL9476944 0.90 PTGS2 (0.40) HDAC2MAP1LC3BMAOBMAOAPTGS1
SCHEMBL9476959 0.90 PTGS2 (0.40) HDAC2MAP1LC3BMAOBMAOAPTGS1
SCHEMBL9476564 0.85 ESR2 (0.41) HDAC2MAOBMAOAESR2
SCHEMBL9476555 0.85 ESR2 (0.41) HDAC2MAOBMAOAESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377469-B1 A LIQUID CRYSTALLINE COMPOUND CHISSO CORPORATION (JP) 1993-10-06 EP disclosed
EP-0377469-A1 A liquid crystalline compound CHISSO CORPORATION (JP) 1990-07-11 EP disclosed