SCHEMBL8535926

SCHEMBL8535926

O=c1oc(C2(CCCc3ccccc3)CC2)cc(O)c1C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.37
HDAC8 Q9BY41 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR6 P50406 2/20 0.35
PDE4A P27815 1/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34
MAP1LC3A Q9H492 1/20 0.34
HDAC4 P56524 1/20 0.34
PRMT1 Q99873 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32

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
SCHEMBL8534559 0.97 PDE4A (0.37) HDAC1HDAC8MEN1KMT2AHTR6
SCHEMBL8539972 0.97 HDAC1 (0.36) HDAC1HDAC8MEN1KMT2AHTR6
SCHEMBL8539163 0.96 MEN1 (0.38) HDAC1HDAC8MEN1KMT2AHTR6
SCHEMBL8535546 0.93 PDE4A (0.38) HDAC1HDAC8MEN1KMT2AHTR6
SCHEMBL8538749 0.93 MEN1 (0.37) HDAC1HDAC8MEN1KMT2AHTR6
SCHEMBL7370592 0.92 HTR6 (0.39) HDAC1HDAC8HTR6MAP1LC3BMAP1LC3A
SCHEMBL7372608 0.89 HTR6 (0.38) HDAC1HDAC8HTR6PDE4AMAP1LC3B
SCHEMBL7376434 0.89 HTR6 (0.38) HDAC1HDAC8HTR6MAP1LC3BMAP1LC3A
SCHEMBL7373124 0.88 HTR6 (0.38) MEN1KMT2AHTR6MAP1LC3BMAP1LC3A
SCHEMBL7366903 0.85 PTGES (0.37) MEN1KMT2AHTR6MAP1LC3BMAP1LC3A

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed