SCHEMBL13673199

SCHEMBL13673199

CCCOc1cc(OC)c(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)c(OCCC)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
MGAM O43451 5/20 0.32
GAA P10253 5/20 0.32
SI P14410 5/20 0.32
MGAM2 Q2M2H8 5/20 0.32
MAOB P27338 2/20 0.31
FFAR1 O14842 1/20 0.31
MAOA P21397 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 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
SCHEMBL4422884 0.95 FFAR1 (0.32) FFAR1
SCHEMBL4415939 0.89 FFAR1 (0.32) FFAR1
SCHEMBL18499528 0.84 MITF (0.35)
SCHEMBL4552185 0.84 ALDH1A1 (0.32) FFAR1
SCHEMBL13865611 0.83 RARA (0.32)
SCHEMBL4413674 0.83 CYP1A1 (0.40) CYP1A1CYP1B1FFAR1
SCHEMBL4413888 0.83 RARA (0.33) FFAR1
SCHEMBL4421577 0.81 PLA2G2A (0.33)
SCHEMBL91835 0.81 RARA (0.36) ERN1CYP1A1CYP1B1MGAMGAA
SCHEMBL18965020 0.80 FFAR1 (0.32) MAOBFFAR1

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
EP-1658351-B1 MESOGENIC COMPOUNDS, MEDIUM FOR ELECTRO-OPTICAL DISPLAYS AND ELECTRO-OPTICAL DISPLAY MERCK PATENT GMBH (DE) 2009-10-28 EP disclosed