SCHEMBL2312929

SCHEMBL2312929

Cc1ccc(C2CCCCC2)cc1C(c1cc(C2CCCCC2)ccc1C)c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ACMSD Q8TDX5 2/20 0.41
KMO O15229 1/20 0.36
PDK2 Q15119 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
QDPR P09417 3/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
IL1B P01584 1/20 0.34
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL760436 0.88 ACMSD (0.49) HDAC4HDAC2HDAC8ACMSDKMO
SCHEMBL29375107 0.88 ACMSD (0.49) HDAC4HDAC2HDAC8ACMSDKMO
SCHEMBL29375612 0.81 NUDT1 (0.37) HDAC4HDAC2HDAC8GABRA1GABRB2
SCHEMBL30127784 0.81 NUDT1 (0.37) HDAC4HDAC2HDAC8GABRA1GABRB2
SCHEMBL757158 0.81 NUDT1 (0.37) HDAC4HDAC2HDAC8GABRA1GABRB2
SCHEMBL2311005 0.79 ESR2 (0.40) ACMSDALDH1A1
SCHEMBL2311470 0.78 SLC6A4 (0.41) HDAC4HDAC2HDAC8ACMSDKMO
SCHEMBL29484425 0.78 GABRA1 (0.35) HDAC4HDAC2HDAC8GABRA1GABRB2
SCHEMBL760343 0.78 GABRA1 (0.35) HDAC4HDAC2HDAC8GABRA1GABRB2
SCHEMBL7804680 0.76 PTGS2 (0.38) HDAC4HDAC2HDAC8GABRA1GABRB2

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-20110193244-A1 ADHESIVE FILM AND PROCESS FOR PREPARING THE SAME AS WELL AS ADHESIVE SHEET AND SEMICONDUCTOR DEVICE MASUKO TAKASHI 2011-08-11 US disclosed
EP-1662319-A2 Photosensitive resin composition TORAY INDUSTRIES, INC. (JP) 2006-05-31 EP disclosed