SCHEMBL8729401

SCHEMBL8729401

CCCCCC1CCC(c2ccc(OC(F)(F)F)cc2)(C2(C(=O)O)CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.43
SLC6A3 Q01959 7/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
SLC6A2 P23975 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
LIPE Q05469 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
EPHX2 P34913 1/20 0.37
TSHR P16473 1/20 0.37
CHRM4 P08173 1/20 0.36

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
SCHEMBL8729811 0.93 SLC6A4 (0.43) SLC6A4SLC6A3MEN1KMT2AADORA3
SCHEMBL8726233 0.86 HSD11B1 (0.40) SLC6A4SLC6A3MEN1KMT2ASLC6A2
SCHEMBL8726981 0.81 SLC6A4 (0.39) SLC6A4SLC6A3MEN1KMT2ASLC6A2
SCHEMBL4800352 0.79 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2KDM4EALDH1A1
SCHEMBL4800356 0.79 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2KDM4EALDH1A1
SCHEMBL8395944 0.78 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2KDM4EALDH1A1
SCHEMBL8727353 0.78 HSD11B1 (0.43) SLC6A4SLC6A3MEN1KMT2ASLC6A2
SCHEMBL9061548 0.77 MEN1 (0.48) SLC6A4SLC6A3MEN1KMT2AFFAR4
SCHEMBL8041229 0.76 SLC6A4 (0.39) SLC6A4SLC6A3SLC6A2KDM4EALDH1A1
SCHEMBL8729397 0.75 SLC6A4 (0.39) SLC6A4SLC6A3MEN1KMT2AKDM4E

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-5833879-A LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 1998-11-10 US disclosed