SCHEMBL9313850

SCHEMBL9313850

CC=CC1CCC(c2ccc(-c3ccc(Cl)c(F)c3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
JAK2 O60674 1/20 0.32
HDAC2 Q92769 1/20 0.32
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 4/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
DGAT1 O75907 1/20 0.31
HTR7 P34969 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ACACB O00763 2/20 0.30
ACACA Q13085 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
APP P05067 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
SCHEMBL9313856 1.00 FFAR1 (0.33) FFAR1JAK2HDAC2CYP11B1CYP11B2
SCHEMBL8380314 1.00 FFAR1 (0.33) FFAR1JAK2HDAC2CYP11B1CYP11B2
SCHEMBL8380316 1.00 FFAR1 (0.33) FFAR1JAK2HDAC2CYP11B1CYP11B2
SCHEMBL8380307 0.89 HTR2A (0.37) SLC6A2SLC6A4SLC6A3PTGS2DGAT1
SCHEMBL9311766 0.89 HTR2A (0.37) SLC6A2SLC6A4SLC6A3PTGS2DGAT1
SCHEMBL9311770 0.89 HTR2A (0.37) SLC6A2SLC6A4SLC6A3PTGS2DGAT1
SCHEMBL8380305 0.89 HTR2A (0.37) SLC6A2SLC6A4SLC6A3PTGS2DGAT1
SCHEMBL8962836 0.88 JAK2 (0.35) FFAR1JAK2HDAC2CYP11B1CYP11B2
SCHEMBL8962842 0.88 JAK2 (0.35) FFAR1JAK2HDAC2CYP11B1CYP11B2
SCHEMBL9311930 0.87 AHR (0.41) HDAC2SLC6A2SLC6A4SLC6A3DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292452-A Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed