SCHEMBL11298562

SCHEMBL11298562

C=C(C)C(=O)OCCCC(O)[C](C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
THRB P10828 1/20 0.48
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.38
GPR84 Q9NQS5 3/20 0.31
NAAA Q02083 1/20 0.31
FFAR1 O14842 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
SCHEMBL4928448 0.86 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1133048 0.85 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL316356 0.85 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL383961 0.82 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8966154 0.81 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8744858 0.81 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28049824 0.81 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1133357 0.81 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL275389 0.81 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8965903 0.81 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT

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-57131226-A None JP disclosed
JP-S57131226-A POLYMERIZABLE QUATERNARY AMMONIUM SALT NIPPON OIL & FATS CO LTD 1982-08-14 JP disclosed