SCHEMBL5080161

SCHEMBL5080161

COC(C)=C(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
CES1 P23141 4/20 0.41
CES2 O00748 2/20 0.41
SRC P12931 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PARP1 P09874 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 4/20 0.38
ELANE P08246 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
SCHEMBL18772417 0.80 TSHR (0.50) TSHRCES1CES2SRCL3MBTL1
SCHEMBL4629606 0.78 TSHR (0.48) TSHRCES1CES2SRCL3MBTL1
SCHEMBL27691329 0.77 TSHR (0.52) TSHRCES1CES2SRCL3MBTL1
SCHEMBL20258664 0.76 TSHR (0.42) TSHRCES1CES2SRCLMNA
SCHEMBL8975527 0.75 TSHR (0.56) TSHRCES1CES2SRCL3MBTL1
SCHEMBL817841 0.74 TSHR (0.54) TSHRCES1CES2SRCL3MBTL1
SCHEMBL28375112 0.73 TSHR (0.54) TSHRCES1CES2SRCL3MBTL1
SCHEMBL21561514 0.73 TSHR (0.43) TSHRCES1CES2SRCL3MBTL1
SCHEMBL18713396 0.73 TSHR (0.54) TSHRCES1CES2SRCLMNA
SCHEMBL18884554 0.73 CES2 (0.48) TSHRCES1CES2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119250-A1 INSECT REPELLENTS QUEST INTERNATIONAL NEDERLAND BV (NL) 2001-08-01 EP claimed
WO-2000019822-A1 INSECT REPELLENTS QUEST INTERNATIONAL B.V. (NL) 2000-04-13 WO claimed
US-7455852-B2 Insect repellents QUEST INTERNATIONAL B.V. (NL) 2008-11-25 US disclosed
EP-1414298-B1 INSECT REPELLENTS QUEST INT SERV BV (NL) 2005-10-26 EP disclosed
US-20040213822-A1 Insect repellents QUEST INTERNATIONAL B.V. (NL) 2004-10-28 US disclosed