SCHEMBL9561678

SCHEMBL9561678

CCOCCCCCC(OC(C)=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
PLA2G2C Q5R387 5/20 0.36
TRPV1 Q8NER1 1/20 0.34
CES1 P23141 1/20 0.33
ADRA1D P25100 1/20 0.32
PTAFR P25105 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD3 P35462 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
FAAH O00519 1/20 0.31
THRB P10828 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
SCHEMBL7533603 0.86 CES2 (0.35) CES2PLA2G2CTRPV1
SCHEMBL7527775 0.86 CES2 (0.35) CES2PLA2G2CTRPV1
SCHEMBL8407812 0.83 FAAH (0.44) CES2CES1FAAH
SCHEMBL8626687 0.81 TRPV1 (0.37) ALDH1A1TSHRTRPV1FAAH
SCHEMBL8630627 0.81 TRPV1 (0.37) ALDH1A1TSHRTRPV1FAAH
SCHEMBL8975370 0.79 KMT2A (0.50) ALDH1A1TSHR
SCHEMBL8979860 0.79 KMT2A (0.50) ALDH1A1TSHR
SCHEMBL8082379 0.77 ESR1 (0.42) ALDH1A1TSHR
SCHEMBL8082375 0.77 ESR1 (0.42) ALDH1A1TSHR
SCHEMBL8979680 0.77 ESR1 (0.42) ALDH1A1TSHR

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
JP-5260992-A None JP disclosed
JP-H05260992-A PRODUCTION OF OPTICALLY ACTIVE ALCOHOL MITSUBISHI GAS CHEM CO INC 1993-10-12 JP disclosed