SCHEMBL13375652

SCHEMBL13375652

CCCNC(=O)CCCSC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
CNR1 P21554 2/20 0.46
FAAH O00519 4/20 0.44
CASP2 P42575 1/20 0.44
DNM1 Q05193 2/20 0.42
NAAA Q02083 1/20 0.42
MCL1 Q07820 1/20 0.40
LPAR1 Q92633 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6231420 0.85 CASP2 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6233996 0.84 CASP2 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22455889 0.81 CNR1 (0.49) CNR1FAAHCASP2DNM1NAAA
SCHEMBL6236684 0.81 CASP2 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL16302656 0.80 FAAH (0.63) CNR1FAAHCASP2DNM1NAAA
SCHEMBL17860103 0.79 TSHR (0.53) CNR1FAAHCASP2DNM1NAAA
SCHEMBL18415430 0.79 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27330437 0.78 CNR1 (0.54) CNR1FAAHCASP2DNM1NAAA
SCHEMBL700736 0.78 CASP2 (0.61) CNR1FAAHCASP2DNM1NAAA
SCHEMBL6239136 0.77 MEN1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288155-B2 Biomolecular attachment sites on microelectronic arrays and methods thereof GAMIDA FOR LIFE B.V. (NL) 2012-10-16 US disclosed