SCHEMBL11684183

SCHEMBL11684183

C=C(C)C(=O)OCCC(C)OC(=O)CCl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.42
FAAH O00519 1/20 0.38
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7737933 0.87 TSHR (0.41) TSHRTHRBFAAHALDH1A1POLB
SCHEMBL24963 0.84 TSHR (0.52) TSHRTHRBFAAHALDH1A1POLB
SCHEMBL28153515 0.84 TSHR (0.44) TSHRTHRBFAAHALDH1A1POLB
SCHEMBL2927782 0.83 TSHR (0.61) TSHRTHRBFAAHALDH1A1
SCHEMBL7738340 0.83 TSHR (0.50) TSHRTHRBFAAHALDH1A1POLB
SCHEMBL4593744 0.83 THRB (0.52) TSHRTHRBFAAHALDH1A1POLB
SCHEMBL11685616 0.83 FAAH (0.44) FAAH
SCHEMBL2464778 0.83 TSHR (0.43) TSHRTHRBALDH1A1POLBAPEX1
Propane SCHEMBL8440363 0.81 THRB (0.50) TSHRTHRBFAAHALDH1A1POLB
SCHEMBL10168286 0.81 TSHR (0.42) TSHRTHRBALDH1A1POLBAPEX1

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-4054722-A PHOTOGRAPHY FUJI PHOTO FILM CO., LTD. (JA) 1977-10-18 US disclosed