SCHEMBL8052185

SCHEMBL8052185

C=CCCCc1ccc(C(=O)Oc2cc(F)c(C#N)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP4A11 Q02928 2/20 0.34
THRB P10828 6/20 0.34
THRA P10827 5/20 0.33
CYP4F2 P78329 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 1/20 0.32
PRSS1 P07477 2/20 0.31
ACR P10323 2/20 0.31
TRPV4 Q9HBA0 1/20 0.31
CCR6 P51684 1/20 0.31
HKDC1 Q2TB90 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
SCHEMBL13198968 0.93 KMT2A (0.34) L3MBTL1ALDH1A1THRBMEN1KMT2A
SCHEMBL9482558 0.87 ALDH1A1 (0.36) L3MBTL1ALDH1A1CYP4A11THRBTHRA
SCHEMBL12892555 0.86 KMT2A (0.43) L3MBTL1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL14524756 0.86 ALDH1A1 (0.34) L3MBTL1ALDH1A1THRBMEN1KMT2A
SCHEMBL14525759 0.85 RARB (0.42) ALDH1A1CYP4A11THRBTHRAKMT2A
SCHEMBL14300379 0.84 THRB (0.37) L3MBTL1ALDH1A1THRBMEN1KMT2A
SCHEMBL8066396 0.84 RARB (0.46) ALDH1A1THRBTHRAMEN1KMT2A
SCHEMBL9256674 0.83 L3MBTL1 (0.41) L3MBTL1ALDH1A1CYP4A11THRBTHRA
SCHEMBL11896617 0.83 CYP3A4 (0.40) L3MBTL1ALDH1A1THRBMEN1KMT2A
SCHEMBL8509611 0.82 MAPT (0.44) L3MBTL1ALDH1A1THRBKMT2ATDP1

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-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed