SCHEMBL10329474

SCHEMBL10329474

CCCOC(=O)C(S)C(S)C(=O)OCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 2/20 0.38
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.34
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL2135936 0.88 HCAR2 (0.38) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL2135774 0.82
SCHEMBL9539625 0.82
SCHEMBL2135989 0.80 HCAR2 (0.39) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL2135231 0.80 HDAC1 (0.39) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL964588 0.78 HCAR2 (0.38) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL9793002 0.78 ALDH1A1 (0.34) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL4654662 0.78 ALDH1A1 (0.50) HCAR2ALDH1A1LMNATSHRHSD17B10
SCHEMBL658057 0.77 HCAR2 (0.40) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL11464425 0.77 HCAR2 (0.36) HCAR2ALDH1A1LMNATSHRESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300518-B1 ANTIREFLECTIVE COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA (US) 2012-08-15 EP disclosed
US-8221965-B2 Antireflective coating compositions AZ ELECTRONIC MATERIALS USA CORP. (US) 2012-07-17 US disclosed
US-8221965-B2 Antireflective coating compositions AZ ELECTRONIC MATERIALS USA CORP. (US) 2012-07-17 US disclosed
US-20100009293-A1 Antireflective Coating Compositions MERCK PATENT GMBH (DE) 2010-01-14 US disclosed
US-20100009293-A1 Antireflective Coating Compositions MERCK PATENT GMBH (DE) 2010-01-14 US disclosed
WO-2010004377-A1 ANTIREFLECTIVE COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-01-14 WO disclosed