SCHEMBL10000645

SCHEMBL10000645

CCCCCCCCSCc1cc(C)c(O)c(CC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.42
SHBG P04278 1/20 0.39
ESR1 P03372 3/20 0.38
TRPV1 Q8NER1 1/20 0.37
CES2 O00748 1/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SOAT2 O75908 1/20 0.35
ACAT1 P24752 1/20 0.35
SOAT1 P35610 1/20 0.35
ESR2 Q92731 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
FAAH O00519 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL20313357 1.00 TYR (0.42) TYRSHBGESR1TRPV1CES2
SCHEMBL7170978 0.96 TYR (0.39) TYRSHBGESR1TRPV1CES2
SCHEMBL2033663 0.93 SHBG (0.40) TYRSHBGESR1CES2GMNN
SCHEMBL34981 0.93 SHBG (0.40) TYRSHBGESR1CES2GMNN
SCHEMBL29370365 0.93 SHBG (0.40) TYRSHBGESR1CES2GMNN
SCHEMBL2027319 0.93 SHBG (0.40) TYRSHBGESR1CES2GMNN
SCHEMBL2033866 0.93 SHBG (0.40) TYRSHBGESR1CES2GMNN
SCHEMBL6057474 0.93 SHBG (0.40) TYRSHBGESR1CES2GMNN
SCHEMBL14998827 0.93 SHBG (0.40) TYRSHBGESR1CES2GMNN
SCHEMBL29370396 0.93 SHBG (0.40) TYRSHBGESR1CES2GMNN

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-8093320-B2 Compositions comprising polyphosphonates and additives that exhibit an advantageous combination of properties, and methods related thereto FRX POLYMERS, INC. (US) 2012-01-10 US disclosed