SCHEMBL11207343

SCHEMBL11207343

C/C=C(\C)C(=O)OCCCCOC(=O)/C(C)=C/C.C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
LMNA P02545 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
NAAA Q02083 1/20 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
NPSR1 Q6W5P4 2/20 0.32
RAD52 P43351 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL10456655 0.93 TSHR (0.47) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL3748655 0.93 TSHR (0.47) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL32686846 0.91 TSHR (0.50) TSHRALDH1A1CYP3A4ATMHCAR2
Ethylene Glycol SCHEMBL1931733 0.87 TSHR (0.42) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL25427 0.85 TSHR (0.41) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL1326102 0.85 TSHR (0.41) TSHRALDH1A1CYP3A4ATMHCAR2
SCHEMBL2418959 0.85 TSHR (0.60) TSHRLMNAALDH1A1CYP3A4ATM
SCHEMBL10602340 0.85 TSHR (0.60) TSHRLMNAALDH1A1CYP3A4ATM
Cyclopropane SCHEMBL1979200 0.85 TSHR (0.39) TSHRALDH1A1
SCHEMBL2418958 0.85 TSHR (0.60) TSHRLMNAALDH1A1CYP3A4ATM

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
EP-0020529-B1 PHOTOPOLYMERIZED HYDROPHILIC INTERPOLYMERS OF UNSATURATED CARBOXYLIC ACID AND ESTERS The B.F. GOODRICH Company (US) 1983-02-16 EP disclosed