SCHEMBL47735

SCHEMBL47735

CCSC(=S)SC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.42
HDAC4 P56524 6/20 0.42
HDAC1 Q13547 6/20 0.42
HDAC7 Q8WUI4 6/20 0.42
HDAC2 Q92769 6/20 0.42
HDAC10 Q969S8 6/20 0.42
HDAC11 Q96DB2 6/20 0.42
HDAC8 Q9BY41 6/20 0.42
HDAC6 Q9UBN7 6/20 0.42
HDAC9 Q9UKV0 6/20 0.42
HDAC5 Q9UQL6 6/20 0.42
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NOS1 P29475 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NOS3 P29474 1/20 0.31

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
SCHEMBL18209644 0.77 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL35180 0.76
SCHEMBL10668659 0.76 NOS1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1286932 0.75 ALDH1A1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20097741 0.73 HDAC3 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20446070 0.73 ALDH1A1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11443351 0.72 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22772271 0.71 NOS1 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL421337 0.71 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14654323 0.71 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044518-A1 NON-REACTIVE, HYDROPHILIC POLYMERS HAVING TERMINAL SILOXANES AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE (US) 2018-02-15 US disclosed
US-9815979-B2 Non-reactive, hydrophilic polymers having terminal siloxanes and methods for making and using the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2017-11-14 US disclosed
US-9726906-B2 Polymers and nanogel materials and methods for making and using the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2017-08-08 US disclosed
US-20170051145-A1 NON-REACTIVE, HYDROPHILIC POLYMERS HAVING TERMINAL SILOXANES AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE (US) 2017-02-23 US disclosed
US-9522980-B2 Non-reactive, hydrophilic polymers having terminal siloxanes and methods for making and using the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2016-12-20 US disclosed
US-20160077360-A1 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE (US) 2016-03-17 US disclosed
US-20110275734-A1 NON-REACTIVE, HYDROPHILIC POLYMERS HAVING TERMINAL SILOXANES AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE, INC. 2011-11-10 US disclosed