SCHEMBL14102740

SCHEMBL14102740

Cc1ccc(C(=S)SCc2c(CSC(=S)c3ccc(C)cc3)c(CSC(=S)c3ccc(C)cc3)c(CSC(=S)c3ccc(C)cc3)c(CSC(=S)c3ccc(C)cc3)c2CSC(=S)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.43
HDAC4 P56524 6/20 0.43
HDAC1 Q13547 6/20 0.43
HDAC7 Q8WUI4 6/20 0.43
HDAC2 Q92769 6/20 0.43
HDAC10 Q969S8 6/20 0.43
HDAC11 Q96DB2 6/20 0.43
HDAC8 Q9BY41 6/20 0.43
HDAC6 Q9UBN7 6/20 0.43
HDAC9 Q9UKV0 6/20 0.43
HDAC5 Q9UQL6 6/20 0.43
IDO1 P14902 2/20 0.38
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GSK3B P49841 1/20 0.36
MAPT P10636 1/20 0.35
ADAM17 P78536 1/20 0.35

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
SCHEMBL24634027 0.93 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL164079 0.78 CA12 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15042769 0.75 ALDH1A1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2705458 0.75 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16904643 0.73 HDAC1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2705058 0.70 ALDH1A1 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL164241 0.68 CA12 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2705457 0.67 HDAC1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4460667 0.66 ALDH1A1 (0.52) HDAC1HDAC6ALDH1A1LMNACES2
SCHEMBL10870991 0.66 ALDH1A1 (0.46) HDAC1HDAC6ALDH1A1LMNACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402632-B2 2-Component crosslink of end-functionalized polyacrylates TESA AKTIENGESELLSCHAFT (DE) 2008-07-22 US disclosed
US-7271203-B2 Crosslinking of photoiniator-initialized polyacrylates TESA AKTIENGESELLSCHAFT (DE) 2007-09-18 US disclosed