SCHEMBL8533751

SCHEMBL8533751

COC(=O)c1ccccc1C(Oc1ccccc1)c1cc(O)c(SCCc2ccccc2)c(=O)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
TSHR P16473 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
LMNA P02545 4/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PLA2G2A P14555 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
FAAH O00519 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
SCHEMBL8535968 0.91 NPC1 (0.37) CA2CA4SMN1; SMN2NPC1
SCHEMBL8538467 0.80 PPARG (0.37) KDM4EL3MBTL1CA2HPGDHSD17B10
SCHEMBL8535732 0.78 KDM4E (0.39) KDM4ETDP1L3MBTL1LMNAHPGD
SCHEMBL8534507 0.74 KDM4E (0.40) KDM4ETSHRPKML3MBTL1LMNA
SCHEMBL6965449 0.72 PTGER4 (0.39) KDM4ETSHRLMNAHPGDNPSR1
SCHEMBL8533753 0.72 KDM4E (0.34) KDM4ETSHRTDP1PKML3MBTL1
SCHEMBL9039893 0.71 LMNA (0.43) KDM4ETSHRTDP1L3MBTL1LMNA
SCHEMBL11787842 0.69 ALDH1A1 (0.45) KDM4ETDP1CA2HPGDKMT2A
SCHEMBL8538683 0.68 KMT2A (0.39) KDM4EL3MBTL1CA2LMNAHPGD
SCHEMBL6952662 0.67 PTPN7 (0.47) LMNAHPGDKMT2AMEN1MAPT

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