SCHEMBL4633503

SCHEMBL4633503

O=C(CCCS)NCCCCS

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 10/20 0.49
HDAC1 Q13547 10/20 0.49
HDAC2 Q92769 10/20 0.49
HDAC10 Q969S8 10/20 0.49
HDAC11 Q96DB2 10/20 0.49
HDAC8 Q9BY41 10/20 0.49
HDAC6 Q9UBN7 10/20 0.49
HDAC4 P56524 9/20 0.49
HDAC7 Q8WUI4 9/20 0.49
HDAC9 Q9UKV0 9/20 0.49
HDAC5 Q9UQL6 9/20 0.49
CASP2 P42575 1/20 0.48
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAAA Q02083 1/20 0.45
DNM1 Q05193 1/20 0.44
FAAH O00519 1/20 0.42

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
SCHEMBL930496 0.93 TSHR (0.48) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL930150 0.91 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL24855609 0.91 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL3025339 0.90 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL929719 0.88 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL12947807 0.87 CASP2 (0.68) CASP2NAAADNM1FAAH
SCHEMBL12605287 0.86 CNR1 (0.47) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL929190 0.86 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL9128874 0.86 SLC6A5 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL15058758 0.86 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC10HDAC11

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-1584615-B1 Use of dimercaptoamides for permanently deforming of keratinic fibres OREAL (FR) 2008-05-28 EP claimed