SCHEMBL20387804

SCHEMBL20387804

CCCCSC(=S)SC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL19450501 0.92 EPHX1 (0.39) NOS3NOS1NOS2HDAC3HDAC4
SCHEMBL35715 0.81 NOS3 (0.50) NOS3NOS1NOS2LMNAHTT
SCHEMBL180793 0.79 EPHX1 (0.36) NOS3NOS1NOS2LMNAHTT
SCHEMBL4245291 0.79 NOS3 (0.34) NOS3NOS1NOS2
SCHEMBL3088096 0.77 EPHX1 (0.50) NOS3NOS1NOS2LMNAHTT
SCHEMBL14102731 0.77
SCHEMBL22657366 0.77 NOS3 (0.46) NOS3NOS1NOS2LMNAHTT
SCHEMBL3714955 0.75 CA1 (0.39) NOS3NOS1NOS2HDAC2LMNA
SCHEMBL18217958 0.75
SCHEMBL1441085 0.75 NOS3 (0.44) NOS3NOS1NOS2LMNAPOLB

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
EP-1463765-B1 AQUEOUS DISPERSIONS OF POLYMER PARTICLES UNIV SYDNEY (AU) 2018-07-18 EP disclosed