SCHEMBL8384196

SCHEMBL8384196

CCCCCCCCCCCCCCCCCCc1ccc(C(=O)CSC(=S)OCC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.62
HDAC4 P56524 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
THRA P10827 12/20 0.55
THRB P10828 12/20 0.55
HAO1 Q9UJM8 1/20 0.51
RARB P10826 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL19615575 0.81 HDAC3 (0.76) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21307662 0.78 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13953019 0.77 HAO1 (0.65) THRATHRBHAO1RARBMEN1
SCHEMBL6899814 0.76 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL6123675 0.76 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL11393726 0.76 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL6900234 0.76 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL3796237 0.76 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL12040863 0.76 THRA (0.59) THRATHRBRARBMEN1KMT2A
SCHEMBL8754256 0.76 THRA (0.65) THRATHRBHAO1RARBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0803083-B1 IMAGE-RECORDING MATERIALS POLAROID CORP (US) 1999-04-21 EP disclosed
EP-0803083-A1 IMAGE-RECORDING MATERIALS POLAROID CORPORATION (US) 1997-10-29 EP disclosed
US-5674986-A FOR HEAT-DEVELOPABLE PHOTOSENSITIVE IMAGE-RECORDING MATERIALS POLAROID CORPORATION (US) 1997-10-07 US disclosed
WO-1997018497-A1 IMAGE-RECORDING MATERIALS POLAROID CORPORATION (US) 1997-05-22 WO disclosed
US-5569574-A CONTAINING CYCLIC 1,3-SULFUR-OXYGEN MOIETY; DIFFUSION TRANSFER PROCESSES POLAROID CORPORATION (US) 1996-10-29 US disclosed