SCHEMBL13636902

SCHEMBL13636902

C#Cc1c(F)cc(OC(=O)c2ccc(C3CCC(C4CCC(C)CC4)CC3)cc2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FASN P49327 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
CYP2C9 P11712 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
SCHEMBL15929949 0.85 ESR2 (0.38) ESR2ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL13408557 0.84 ESR2 (0.43) ESR2ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL6456828 0.80 FASN (0.33) ALDH1A1SMN1; SMN2KMT2AFASN
SCHEMBL6456829 0.80 FASN (0.33) ALDH1A1SMN1; SMN2KMT2AFASN
SCHEMBL15172780 0.79 ESR2 (0.33) ESR2ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL14502621 0.78 SLC6A3 (0.41) ESR2ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL12892553 0.77 KDM1A (0.38) ESR2ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL12152977 0.77 KDM1A (0.38) ESR2ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL18635922 0.77 ESR2 (0.51) ESR2ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL15181114 0.76 KMT2A (0.46) ESR2ALDH1A1MAPTSMN1; SMN2KMT2A

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-2123623-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-25 EP disclosed