SCHEMBL8533753

SCHEMBL8533753

COC(=O)c1ccc(-c2cc(O)c(SCCc3ccccc3)c(=O)o2)c(Oc2ccccc2)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
FAAH O00519 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
MITF O75030 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
SCHEMBL8535971 0.92 KDM4E (0.36) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL8534507 0.79 KDM4E (0.40) KDM4EALDH1A1HPGDGAANPSR1
SCHEMBL6957097 0.75 CYSLTR1 (0.41) MAPTL3MBTL1SMN1; SMN2
SCHEMBL8585298 0.74 ESR1 (0.43) KDM4EHPGDGLAGAANPSR1
SCHEMBL6965449 0.74 PTGER4 (0.39) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL6959687 0.73 POLB (0.38) MAPTTDP1L3MBTL1FAAHSMN1; SMN2
SCHEMBL8535874 0.73 ATM (0.36) KDM4EALDH1A1MAPT
SCHEMBL9039893 0.73 LMNA (0.43) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL6955817 0.72 MAOB (0.45) KDM4EALDH1A1HPGDMAPK1MAPT
SCHEMBL8533751 0.72 KDM4E (0.35) KDM4EALDH1A1HPGDNPSR1HSD17B10

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