SCHEMBL10303407

SCHEMBL10303407

CCCC(O)c1ccc(C2CCC(c3ccc(OCC)cc3F)CC2)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CPS1 P31327 2/20 0.35
▸ ACACB O00763 3/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ FFAR1 O14842 4/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL10091488 0.97 CPS1 (0.33) CPS1ACACBNQO2MTNR1AMTNR1B
SCHEMBL10303336 0.89 SLC10A2 (0.33) ACACBFFAR1
SCHEMBL10303129 0.89 FFAR1 (0.39) ACACBFFAR1
SCHEMBL10303251 0.88 MAOA (0.35) CPS1ACACB
SCHEMBL10303296 0.88 ACACB (0.34) ACACBFFAR1
SCHEMBL12907931 0.87 MAOA (0.36) CPS1ACACBNQO2MTNR1AMTNR1B
SCHEMBL12994451 0.87 CPS1 (0.31) CPS1ACACB
SCHEMBL10303050 0.87 FFAR1 (0.34) FFAR1
SCHEMBL10302979 0.86 PPARA (0.31) CPS1
SCHEMBL10303401 0.85 ADRA2A (0.35) DRD2

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
Send feedback