SCHEMBL8630627

SCHEMBL8630627

CC(=O)OC(CCCCCOC(C)C)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
TSHR P16473 1/20 0.35
ALDH1A1 P00352 2/20 0.33
FAAH O00519 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 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
SCHEMBL8626687 1.00 TRPV1 (0.37) TRPV1TSHRALDH1A1FAAHHTT
SCHEMBL9561678 0.81 CES2 (0.39) TRPV1TSHRALDH1A1FAAH
SCHEMBL8407812 0.80 FAAH (0.44) FAAHKMT2A
SCHEMBL7533603 0.80 CES2 (0.35) TRPV1
SCHEMBL7527775 0.80 CES2 (0.35) TRPV1
SCHEMBL7523865 0.74 TSHR (0.39) TRPV1TSHRALDH1A1SMN1; SMN2
SCHEMBL7526153 0.74 TSHR (0.39) TRPV1TSHRALDH1A1SMN1; SMN2
SCHEMBL8631979 0.73 CETP (0.32) TRPV1ALDH1A1
SCHEMBL8631410 0.73 CETP (0.32) TRPV1ALDH1A1
SCHEMBL8631413 0.73 CETP (0.32) TRPV1ALDH1A1

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-0849247-A1 Optically active alcohol and process for the production thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-06-24 EP disclosed