SCHEMBL9724233

SCHEMBL9724233

COC(=O)c1c(C(=O)OC)c(O)c2c(OCc3ccccc3)ccc(OCc3ccccc3)c2c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
SMPD1 P17405 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
BRD4 O60885 1/20 0.48
GAA P10253 2/20 0.47
SGMS2 Q8NHU3 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL9724299 0.86 HPGD (0.56) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL9724243 0.85 HPGD (0.57) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL2761617 0.81 EDNRA (0.54) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL4599529 0.79 SMPD1 (0.54) SMN1; SMN2HPGDLMNASMPD1HDAC1
SCHEMBL5120937 0.79 CA12 (0.59) MAPTTDP1L3MBTL1HPGDLMNA
SCHEMBL31643786 0.78 MAPT (0.53) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL28448203 0.78 HPGD (0.71) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL25246749 0.77 MEN1 (0.55) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL7281267 0.77 CLCN2 (0.55) SMN1; SMN2CYP2C9CYP2C19HPGDLMNA
SCHEMBL24379079 0.77 LMNA (0.55) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1

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-5166208-A Antitumor agents; antibiotics BOSTON COLLEGE (US) 1992-11-24 US disclosed