SCHEMBL8835540

SCHEMBL8835540

CC/C=C/C=C/C1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.33
MAOB P27338 4/20 0.33
MAOA P21397 3/20 0.33
CYP2C9 P11712 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
ESR2 Q92731 1/20 0.31
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
DRD3 P35462 2/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
HCRTR2 O43614 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL8835544 1.00 HDAC2 (0.35) HDAC2MAP1LC3BMAOBMAOACYP2C9
SCHEMBL8835352 0.85 SPHK1 (0.36) HDAC2MAOBMAOACYP2C9SPHK1
SCHEMBL8835355 0.85 SPHK1 (0.36) HDAC2MAOBMAOACYP2C9SPHK1
SCHEMBL8835711 0.84 HCRTR2 (0.34) HDAC2HTR2AHCRTR2
SCHEMBL8835703 0.84 HCRTR2 (0.34) HDAC2HTR2AHCRTR2
SCHEMBL8835082 0.83 HDAC2 (0.37) HDAC2MAP1LC3BMAOBMAOAKDM1A
SCHEMBL8835086 0.83 HDAC2 (0.37) HDAC2MAP1LC3BMAOBMAOAKDM1A
SCHEMBL8835056 0.82 SPHK1 (0.43) HDAC2CYP2C9SPHK1
SCHEMBL8835061 0.82 SPHK1 (0.43) HDAC2CYP2C9SPHK1
SCHEMBL8835236 0.81 GRIA1 (0.40) HDAC2MAOBMAOADRD2DRD3

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
US-5662830-A Diene derivative CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0563982-B1 Polycyclic diene derivatives CHISSO CORP (JP) 1996-07-17 EP disclosed
US-5449810-A Diene derivative CHISSO CORPORATION (JP) 1995-09-12 US disclosed