SCHEMBL7649876

SCHEMBL7649876

CCCCCCSC(C)C=C(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
THRB P10828 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CES2 O00748 1/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 1/20 0.41
PPARD Q03181 7/20 0.37
EP300 Q09472 1/20 0.37
LCK P06239 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
GPR84 Q9NQS5 7/20 0.34

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
SCHEMBL13685145 0.93 EPHX1 (0.40) EPHX1THRBHSD17B10CES2GMNN
SCHEMBL13685144 0.93 EPHX1 (0.40) EPHX1THRBHSD17B10CES2GMNN
SCHEMBL13685089 0.78 PTGS1 (0.32) ALDH1A1
SCHEMBL3231458 0.78 PTGS1 (0.32) ALDH1A1
SCHEMBL10386188 0.74 LCK (0.48) MAPTPPARDEP300LCKZDHHC20
SCHEMBL15791893 0.74 LCK (0.48) MAPTPPARDEP300LCKZDHHC20
SCHEMBL16059073 0.74 LCK (0.48) MAPTPPARDEP300LCKZDHHC20
SCHEMBL2798260 0.74 LCK (0.48) MAPTPPARDEP300LCKZDHHC20
SCHEMBL5362188 0.74 LCK (0.48) MAPTPPARDEP300LCKZDHHC20
SCHEMBL2799138 0.74 LCK (0.48) MAPTPPARDEP300LCKZDHHC20

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
WO-2002100911-A1 RESIN COMPOSITIONS, AND OPTICAL LENS PREPARED THEREBY DOOSAN CORPORATION ELECTRO-MATERIALS BG (KR) 2002-12-19 WO disclosed