SCHEMBL4437013

SCHEMBL4437013

C=C(C)C(=O)OCCCC.C=C(CC)C(=O)OCCCCCC

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.80
NAAA Q02083 1/20 0.50
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.46
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.43
CES2 O00748 1/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39
ACHE P22303 2/20 0.39

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
SCHEMBL6563295 0.98 TSHR (0.83) TSHRNAAAPOLBAPEX1HTT
SCHEMBL10594310 0.98 TSHR (0.83) TSHRNAAAPOLBAPEX1HTT
SCHEMBL11355647 0.94 TSHR (0.75) TSHRNAAAPOLBAPEX1HTT
SCHEMBL18823247 0.93 TSHR (0.72) TSHRNAAAPOLBAPEX1HTT
SCHEMBL18823426 0.93 TSHR (0.72) TSHRNAAAPOLBAPEX1HTT
SCHEMBL18822940 0.93 TSHR (0.72) TSHRNAAAPOLBAPEX1HTT
SCHEMBL18823318 0.93 TSHR (0.72) TSHRNAAAPOLBAPEX1HTT
SCHEMBL9320768 0.92 TSHR (0.73) TSHRNAAAPOLBAPEX1HTT
SCHEMBL9321668 0.92 TSHR (0.73) TSHRNAAAPOLBAPEX1HTT
SCHEMBL11850141 0.91 TSHR (0.70) TSHRNAAAALDH1A1RAD52NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124817-A2 BIOABSORBABLE COATINGS FOR MEDICAL DEVICES ICON Medical Corp. (US) 2009-12-02 EP disclosed
WO-2008112458-A2 BIOABSORBABLE COATINGS FOR MEDICAL DEVICES ICON MEDICAL CORP (US) 2008-09-18 WO disclosed
US-4327011-A Printing ink and vehicle therefor CENTURY INKS CORPORATION (US) 1982-04-27 US disclosed