SCHEMBL11096017

SCHEMBL11096017

C=C(C)C(=O)OCCCCCCCCCCCC.C=COCCCCCCCC

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.77
THRB P10828 1/20 0.46
NAAA Q02083 1/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 2/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CES2 O00748 1/20 0.40
CYP3A4 P08684 1/20 0.39
FAAH O00519 1/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL17785972 0.93 TSHR (0.66) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL2689893 0.93 TSHR (0.65) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL2688287 0.93 TSHR (0.65) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL18822943 0.93 TSHR (0.65) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL18822989 0.93 TSHR (0.65) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL18822941 0.93 TSHR (0.65) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL757355 0.92 TSHR (0.61) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL5739016 0.92 TSHR (0.61) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL11122034 0.91 TSHR (0.69) TSHRTHRBNAAAPOLBAPEX1
SCHEMBL28846638 0.89 TSHR (0.80) TSHRTHRBNAAAPOLBAPEX1

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-4425418-A COLOR, CHARGE CONTROL, OLEFIN POLYMER, 1,3-PENTADIENE POLYMER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1984-01-10 US disclosed